N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

C24H26N4O2 — CID 55880187

IUPACN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-17-14-18(23(29)26-20-8-4-2-5-9-20)12-13-22(17)27-24(30)19-15-25-28(16-19)21-10-6-3-7-11-21/h3,6-7,10-16,20H,2,4-5,8-9H2,1H3,(H,26,29)(H,27,30)
InChIKeyAJFAANLJKRCUAU-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.50
Rot. Bonds5

About N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 55880187) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID55880187
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-17-14-18(23(29)26-20-8-4-2-5-9-20)12-13-22(17)27-24(30)19-15-25-28(16-19)21-10-6-3-7-11-21/h3,6-7,10-16,20H,2,4-5,8-9H2,1H3,(H,26,29)(H,27,30)
InChIKeyAJFAANLJKRCUAU-UHFFFAOYSA-N
XLogP4.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 32526900
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 26285543
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide
CID 112846041
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide
CID 48666286

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (CID 55880187) is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is AJFAANLJKRCUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-14-18(23(29)26-20-8-4-2-5-9-20)12-13-22(17)27-24(30)19-15-25-28(16-19)21-10-6-3-7-11-21/h3,6-7,10-16,20H,2,4-5,8-9H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55880187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).