2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid

C11H14F2N2O2 — CID 84737255

IUPAC2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccnn1C1CCCCC1(F)F
InChIInChI=1S/C11H14F2N2O2/c12-11(13)5-2-1-3-9(11)15-8(4-6-14-15)7-10(16)17/h4,6,9H,1-3,5,7H2,(H,16,17)
InChIKeyLCTKSIRUFPAAMP-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid

2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid (PubChem CID 84737255) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid
PubChem CID84737255
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccnn1C1CCCCC1(F)F
InChIInChI=1S/C11H14F2N2O2/c12-11(13)5-2-1-3-9(11)15-8(4-6-14-15)7-10(16)17/h4,6,9H,1-3,5,7H2,(H,16,17)
InChIKeyLCTKSIRUFPAAMP-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine
CID 84733816
2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid
CID 84736666
2-[2-(thian-4-yl)pyrazol-3-yl]acetic acid
CID 84735820
2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid
CID 84736128
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
3-[2-(thietan-3-yl)pyrazol-3-yl]propanoic acid
CID 105466031
2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521611
N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine
CID 167845313
1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530593
N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154855025
5-(chloromethyl)-1-cyclohexylpyrazole
CID 138987728
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120546524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid (CID 84737255) is 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid is O=C(O)Cc1ccnn1C1CCCCC1(F)F.
What is the InChIKey of 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid?
The InChIKey is LCTKSIRUFPAAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-11(13)5-2-1-3-9(11)15-8(4-6-14-15)7-10(16)17/h4,6,9H,1-3,5,7H2,(H,16,17).
What are the key properties of 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid?
2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid has a molecular weight of 244.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 84737255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).