1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid

C11H14F2N2O2 — CID 175176359

IUPAC1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(n2ccc(C(F)F)n2)CCCCC1
InChIInChI=1S/C11H14F2N2O2/c12-9(13)8-4-7-15(14-8)11(10(16)17)5-2-1-3-6-11/h4,7,9H,1-3,5-6H2,(H,16,17)
InChIKeyYSQLPZINTCZGJJ-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.56
Rot. Bonds3

About 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid

1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 175176359) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
PubChem CID175176359
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(n2ccc(C(F)F)n2)CCCCC1
InChIInChI=1S/C11H14F2N2O2/c12-9(13)8-4-7-15(14-8)11(10(16)17)5-2-1-3-6-11/h4,7,9H,1-3,5-6H2,(H,16,17)
InChIKeyYSQLPZINTCZGJJ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (CID 175176359) is 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is O=C(O)C1(n2ccc(C(F)F)n2)CCCCC1.
What is the InChIKey of 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is YSQLPZINTCZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-9(13)8-4-7-15(14-8)11(10(16)17)5-2-1-3-6-11/h4,7,9H,1-3,5-6H2,(H,16,17).
What are the key properties of 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 244.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175176359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).