4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid

C20H25N3O3 — CID 155952452

IUPAC4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1CCc1cc(NC(=O)C2CCC(C(=O)O)CC2)n[nH]1
InChIInChI=1S/C20H25N3O3/c1-13-4-2-3-5-14(13)10-11-17-12-18(23-22-17)21-19(24)15-6-8-16(9-7-15)20(25)26/h2-5,12,15-16H,6-11H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyFJLVJGBSOJBDPF-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.33
Rot. Bonds6

About 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 155952452) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID155952452
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1CCc1cc(NC(=O)C2CCC(C(=O)O)CC2)n[nH]1
InChIInChI=1S/C20H25N3O3/c1-13-4-2-3-5-14(13)10-11-17-12-18(23-22-17)21-19(24)15-6-8-16(9-7-15)20(25)26/h2-5,12,15-16H,6-11H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyFJLVJGBSOJBDPF-UHFFFAOYSA-N
XLogP3.33
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide
CID 126789548
1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea
CID 154754514
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
CID 113245552
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127185
N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine
CID 156751979
N-[2-[[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95755294
1-acetyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 60973723
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
3-N,3-N-dimethyl-1-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]benzene-1,3-disulfonamide
CID 167902378

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 155952452) is 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccccc1CCc1cc(NC(=O)C2CCC(C(=O)O)CC2)n[nH]1.
What is the InChIKey of 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FJLVJGBSOJBDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-4-2-3-5-14(13)10-11-17-12-18(23-22-17)21-19(24)15-6-8-16(9-7-15)20(25)26/h2-5,12,15-16H,6-11H2,1H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 355.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 155952452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).