Basic information
- CAS
138942-61-7- Standard SMILES
N#Cc1cn(-c2ccccc2)nc1N- InChIKey
XJGWIJRMZFXAHM-UHFFFAOYSA-N- Molecular formula
- C10H8N4
- Average molar mass
- 184.2 g/mol
- Monoisotopic mass
- 184.07489626
Names & identifiers
- Preferred name
- 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
- IUPAC
- 3-amino-1-phenylpyrazole-4-carbonitrile
- English name
- 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
- Molecular formula
- C10H8N4
- Molecular weight
- 184.2
Names & synonyms
3-AMINO-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE138942-61-7DTXSID00378958RefChem:276310DTXCID003299853-amino-1-phenylpyrazole-4-carbonitrileMFCD008286331H-Pyrazole-4-carbonitrile, 3-amino-1-phenyl-1H-Pyrazole-4-carbonitrile,3-amino-1-phenyl-Maybridge1_000729SCHEMBL2033581HMS543J03
Show more names
3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile 95%
XJGWIJRMZFXAHM-UHFFFAOYSA-NNFA94261SBB055844AKOS0011603953-amino-1-phenyl-pyrazole-4-carbonitrileTS-02569DB-015828CS-0093849
Database identifiers
- CAS
138942-61-7- PubChem CID
- 2774249
- DTXSID
DTXSID00378958- Nikkaji
- J642.681F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- form
- crystalline solid
- color
- Off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P301+P312-P280
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P301+P312-P280
Chemistry & industry
Suppliers8 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
14 records
Compound notes
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