3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid

C16H17FN2O2 — CID 117465772

IUPAC3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C3CCCCC3)c(F)c2)n[nH]1
InChIInChI=1S/C16H17FN2O2/c17-13-8-11(14-9-15(16(20)21)19-18-14)6-7-12(13)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,19)(H,20,21)
InChIKeyCAQRVKMHGQRPBY-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.96
Rot. Bonds3

About 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid

3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117465772) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117465772
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C3CCCCC3)c(F)c2)n[nH]1
InChIInChI=1S/C16H17FN2O2/c17-13-8-11(14-9-15(16(20)21)19-18-14)6-7-12(13)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,19)(H,20,21)
InChIKeyCAQRVKMHGQRPBY-UHFFFAOYSA-N
XLogP3.96
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592596
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3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117399119
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117406570
[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 110676156
3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117329834
3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117484165
3-(3,5-difluoro-4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117486912
3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid
CID 82390931
3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459650
3-[4-(1-methylazetidin-3-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117396305

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid (CID 117465772) is 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(C3CCCCC3)c(F)c2)n[nH]1.
What is the InChIKey of 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is CAQRVKMHGQRPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-8-11(14-9-15(16(20)21)19-18-14)6-7-12(13)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,19)(H,20,21).
What are the key properties of 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117465772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).