4-(Propan-2-yl)-1H-pyrazole

HCID 20067321
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Basic information

CAS
13753-53-2
Standard SMILES
CC(C)c1cn[nH]c1
InChIKey
WVMBISZHWMJNNM-UHFFFAOYSA-N
Molecular formula
C6H10N2
Average molar mass
110.16 g/mol
Monoisotopic mass
110.08439832

Names & identifiers

Preferred name
4-(Propan-2-yl)-1H-pyrazole
IUPAC
4-propan-2-yl-1H-pyrazole
English name
4-Isopropyl-1H-pyrazole
Molecular formula
C6H10N2
Molecular weight
110.16

Names & synonyms

13753-53-24-(Propan-2-yl)-1H-pyrazoleDTXSID10602079RefChem:289365DTXCID405528364-isopropyl-1H-pyrazole1H-Pyrazole, 4-(1-methylethyl)-4-propan-2-yl-1H-pyrazole4-isopropylpyrazoleMFCD20502404SCHEMBL84454SCHEMBL4618347
Show more names
SCHEMBL9051833SCHEMBL19640773WVMBISZHWMJNNM-UHFFFAOYSA-NALBB-018584AKOS015997651AS-91792SY278608DB-206132

Database identifiers

CAS
13753-53-2
PubChem CID
20067321
DTXSID
DTXSID10602079
Nikkaji
J2.166.070A

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
8

Physicochemical properties

Boiling point
90 · 90-91 °C(Press: 3 Torr)
Density
0.9706 g/cm3 · 0.9706 g/cm3
storage temp.
2 · Storage temp. 2-8°C
pka
14.84 · 14.84±0.50(Predicted)
Appearance
Colorless to light yellow Liquid
InChI
InChI=1S/C6H10N2/c1-5(2)6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)

Safety & regulation

Safety data

Signal word
Danger
Symbol(GHS)
GHS02,GHS07
Hazard statements
H225-H315-H319
Precautionary statements
P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501

Chemistry & industry

Applications

Uses4-Isopropylpyrazole is a 4-substituted pyrazole that is used as an inhibitor of liver alcohol dehydrogenase.

Suppliers18 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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