N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide

C18H19N5O2 — CID 69215768

IUPACN-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(C#N)cc(C(=O)NC(C)C2CC2)c1NC(=O)c1ccn[nH]1
InChIInChI=1S/C18H19N5O2/c1-10-7-12(9-19)8-14(17(24)21-11(2)13-3-4-13)16(10)22-18(25)15-5-6-20-23-15/h5-8,11,13H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyZRPZRCSFVKOBMH-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.37
Rot. Bonds5

About N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide

N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 69215768) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide
PubChem CID69215768
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(C#N)cc(C(=O)NC(C)C2CC2)c1NC(=O)c1ccn[nH]1
InChIInChI=1S/C18H19N5O2/c1-10-7-12(9-19)8-14(17(24)21-11(2)13-3-4-13)16(10)22-18(25)15-5-6-20-23-15/h5-8,11,13H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyZRPZRCSFVKOBMH-UHFFFAOYSA-N
XLogP2.37
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-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-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide (CID 69215768) is N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide is Cc1cc(C#N)cc(C(=O)NC(C)C2CC2)c1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZRPZRCSFVKOBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10-7-12(9-19)8-14(17(24)21-11(2)13-3-4-13)16(10)22-18(25)15-5-6-20-23-15/h5-8,11,13H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide?
N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69215768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).