2-(3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
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Basic information
- CAS
957292-12-5- Standard SMILES
O=C(O)Cn1ccc(C2CC2)n1- InChIKey
JJQHGFRLPJLOJC-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- 2-(3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
- IUPAC
- 2-(3-cyclopropylpyrazol-1-yl)acetic acid
- English name
- (3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
957292-12-52-(3-cyclopropyl-1H-pyrazol-1-yl)acetic acid(3-cyclopropyl-1H-pyrazol-1-yl)acetic acidMFCD049709432-(3-cyclopropylpyrazol-1-yl)acetic acid2-(3-cyclopropylpyrazolyl)acetic acid(3-Cyclopropyl-pyrazol-1-yl)-acetic acidSCHEMBL12984289JJQHGFRLPJLOJC-UHFFFAOYSA-NHNB29212SBB009572AKOS000311152
Show more names
1H-Pyrazole-1-acetic acid, 3-cyclopropyl-
AS-43171ST099338DB-117229CS-02644052-(3-cyclopropyl-1H-pyrazol-1-yl)aceticacidEN300-92722Z1198165067
Database identifiers
- CAS
957292-12-5- PubChem CID
- 6485396
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 364.4 · 364.4±25.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
1 records
Compound notes
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