5-Amino-1-phenyl-4-pyrazolecarboxamide

HCID 1802CAS 50427-77-5
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)c1cnn(-c2ccccc2)c1N
InChIKey
UBKSUPKIDNXMMC-UHFFFAOYSA-N
Molecular formula
C10H10N4O
Average molar mass
202.21 g/mol
Monoisotopic mass
202.08546094

Names & identifiers

Preferred name
5-Amino-1-phenyl-4-pyrazolecarboxamide
IUPAC
5-amino-1-phenylpyrazole-4-carboxamide
English name
5-AMINO-1-PHENYLPYRAZOLE-4-CARBOXAMIDE
Molecular formula
C10H10N4O
Molecular weight
202.21

Names & synonyms

5-Amino-1-phenyl-4-pyrazolecarboxamideRefChem:532049637-132-95-Amino-1-phenyl-1H-pyrazole-4-carboxamide50427-77-55-Amino-1-phenylpyrazole-4-carboxamideMFCD00020732CHEMBL4544218F0863-0552NSC505665-amino-1-phenyl-pyrazole-4-carboxamideMaybridge1_000861
Show more names
NSC 50566NSC 11602TIMTEC-BB SBB0058835-azanyl-1-phenyl-pyrazole-4-carboxamide5-amino-1-phenyl-1,4-pyrazolecarboxamide5-Amino-4-carbamoyl-1-phenyl-1H-pyrazole, 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole
ChemDiv2_0008051H-Pyrazole-4-carboxamide, 5-amino-1-phenyl-5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid amideSCHEMBL2743084HMS543P03DTXSID90274334HMS1371E13SMSSF-0061763

Database identifiers

CAS
50427-77-5
PubChem CID
1802
DTXSID
DTXSID90274334
ChEMBL
CHEMBL4544218
EC Number
637-132-9
Nikkaji
J1.643.249K

Properties

Computed structural properties

XLogP
1
Topological polar surface area
86.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
169 · 169-172
Boiling point
423.7 · 423.7±25.0 °C(Predicted)
Density
1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
DMSO, Methanol
pka
15.05 · 15.05±0.50(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2933199090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-37/39

Chemistry & industry

Applications

Uses5-AMino-1-phenylpyrazole-4-carboxamide is used as a heterocyclic scaffold.

Upstream & downstream products

Suppliers36 total

上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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