2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid

C6H6F2N2O2 — CID 165139401

IUPAC2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid
SMILESO=C(O)Cc1[nH]ncc1C(F)F
InChIInChI=1S/C6H6F2N2O2/c7-6(8)3-2-9-10-4(3)1-5(11)12/h2,6H,1H2,(H,9,10)(H,11,12)
InChIKeyGHDHBJWLCNCTAY-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.97
Rot. Bonds3

About 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid

2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid (PubChem CID 165139401) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid
PubChem CID165139401
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid
SMILESO=C(O)Cc1[nH]ncc1C(F)F
InChIInChI=1S/C6H6F2N2O2/c7-6(8)3-2-9-10-4(3)1-5(11)12/h2,6H,1H2,(H,9,10)(H,11,12)
InChIKeyGHDHBJWLCNCTAY-UHFFFAOYSA-N
XLogP0.97
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrazol-5-yl)acetic acid hydrochloride
CID 13512450
2-(3-methyl-1H-pyrazol-4-yl)acetic acid
CID 54572443
(1H-Pyrazol-5-yl)acetic acid
CID 13512449
2-(4-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)acetic acid
CID 96622066
2-(4-bromo-1H-pyrazol-5-yl)acetic acid hydrochloride
CID 154878708
2,2-difluoro-2-(1H-pyrazol-5-yl)acetic acid
CID 164643472
2-(1H-pyrazol-3-yl)propanoic acid
CID 22367851
2-(3-(trifluoromethyl)-1H-pyrazol-4-yl)acetic acid
CID 55267971
5-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 66788035
5-(1,2,2,2-tetrafluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 67191449
5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 82377948
2-amino-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 82662243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid (CID 165139401) is 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid is O=C(O)Cc1[nH]ncc1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid?
The InChIKey is GHDHBJWLCNCTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-6(8)3-2-9-10-4(3)1-5(11)12/h2,6H,1H2,(H,9,10)(H,11,12).
What are the key properties of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid?
2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid has a molecular weight of 176.12 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetic acid is sourced from PubChem (CID 165139401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).