1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid

C17H20N2O3 — CID 118735614

IUPAC1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nn2C2CCCCC2)cc1
InChIInChI=1S/C17H20N2O3/c1-22-14-9-7-12(8-10-14)16-11-15(17(20)21)18-19(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,21)
InChIKeyNSNFTCWZESOQOT-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.76
Rot. Bonds4

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

1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 118735614) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid
PubChem CID118735614
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nn2C2CCCCC2)cc1
InChIInChI=1S/C17H20N2O3/c1-22-14-9-7-12(8-10-14)16-11-15(17(20)21)18-19(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,21)
InChIKeyNSNFTCWZESOQOT-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1085887
4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 1478012
Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 2608796
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
1-[[2-[(2,4-Difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11406237
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
5-(4-Ethoxyphenyl)-1-(4-phenoxyphenyl)pyrazole-3-carboxylic acid
CID 127047005
1-(4-Phenoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid
CID 127047006
5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid
CID 2798292
2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
CID 2798301

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid (CID 118735614) is 1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid is COc1ccc(-c2cc(C(=O)O)nn2C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is NSNFTCWZESOQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-14-9-7-12(8-10-14)16-11-15(17(20)21)18-19(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,21).
What are the key properties of 1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid?
1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 118735614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).