5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid

C11H14F2N2O3 — CID 62890561

IUPAC5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCCCC2O)c1C(F)F
InChIInChI=1S/C11H14F2N2O3/c12-10(13)9-6(11(17)18)5-14-15(9)7-3-1-2-4-8(7)16/h5,7-8,10,16H,1-4H2,(H,17,18)
InChIKeyNIQVNCFSIMPLSL-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.99
Rot. Bonds3

About 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid

5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid (PubChem CID 62890561) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid
PubChem CID62890561
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCCCC2O)c1C(F)F
InChIInChI=1S/C11H14F2N2O3/c12-10(13)9-6(11(17)18)5-14-15(9)7-3-1-2-4-8(7)16/h5,7-8,10,16H,1-4H2,(H,17,18)
InChIKeyNIQVNCFSIMPLSL-UHFFFAOYSA-N
XLogP1.99
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid (CID 62890561) is 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CCCCC2O)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid?
The InChIKey is NIQVNCFSIMPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c12-10(13)9-6(11(17)18)5-14-15(9)7-3-1-2-4-8(7)16/h5,7-8,10,16H,1-4H2,(H,17,18).
What are the key properties of 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid?
5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid has a molecular weight of 260.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 62890561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).