2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid

C10H12F2N2O2 — CID 84736128

IUPAC2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1C1CCCC(F)(F)C1
InChIInChI=1S/C10H12F2N2O2/c11-10(12)4-1-2-7(6-10)14-8(9(15)16)3-5-13-14/h3,5,7H,1-2,4,6H2,(H,15,16)
InChIKeyARROWNYSUBSCLX-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.33
Rot. Bonds2

About 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid

2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid (PubChem CID 84736128) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid
PubChem CID84736128
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1C1CCCC(F)(F)C1
InChIInChI=1S/C10H12F2N2O2/c11-10(12)4-1-2-7(6-10)14-8(9(15)16)3-5-13-14/h3,5,7H,1-2,4,6H2,(H,15,16)
InChIKeyARROWNYSUBSCLX-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(3,3-difluorocyclohexyl)pyrazole
CID 84735261
2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid
CID 105480601
1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530593
4-[(2-cyclopentylpyrazole-3-carbonyl)amino]thiane-4-carboxylic acid
CID 120531297
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546523
2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521611
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215
2-chloropyrazole-3-carboxylic acid
CID 89407725
6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 146109220
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid
CID 120518063
2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 114225872

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid (CID 84736128) is 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid is O=C(O)c1ccnn1C1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid?
The InChIKey is ARROWNYSUBSCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c11-10(12)4-1-2-7(6-10)14-8(9(15)16)3-5-13-14/h3,5,7H,1-2,4,6H2,(H,15,16).
What are the key properties of 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid?
2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid has a molecular weight of 230.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 84736128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).