N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

C18H22N4O2 — CID 136534622

IUPACN-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C18H22N4O2/c1-10-4-7-14(17(23)19-9-13-5-6-13)8-15(10)20-18(24)16-11(2)12(3)21-22-16/h4,7-8,13H,5-6,9H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyACANOKFKNCGSDH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.73
Rot. Bonds5

About N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 136534622) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID136534622
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C18H22N4O2/c1-10-4-7-14(17(23)19-9-13-5-6-13)8-15(10)20-18(24)16-11(2)12(3)21-22-16/h4,7-8,13H,5-6,9H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyACANOKFKNCGSDH-UHFFFAOYSA-N
XLogP2.73
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 136534622) is N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1n[nH]c(C)c1C.
What is the InChIKey of N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is ACANOKFKNCGSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-10-4-7-14(17(23)19-9-13-5-6-13)8-15(10)20-18(24)16-11(2)12(3)21-22-16/h4,7-8,13H,5-6,9H2,1-3H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 136534622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).