N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide

C17H22N4O — CID 119062587

IUPACN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cccc(C(NC(=O)c2ccn(C(C)C)n2)C2CC2)n1
InChIInChI=1S/C17H22N4O/c1-11(2)21-10-9-15(20-21)17(22)19-16(13-7-8-13)14-6-4-5-12(3)18-14/h4-6,9-11,13,16H,7-8H2,1-3H3,(H,19,22)
InChIKeyALFUXFUCRMMNMI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.05
Rot. Bonds5

About N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 119062587) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID119062587
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cccc(C(NC(=O)c2ccn(C(C)C)n2)C2CC2)n1
InChIInChI=1S/C17H22N4O/c1-11(2)21-10-9-15(20-21)17(22)19-16(13-7-8-13)14-6-4-5-12(3)18-14/h4-6,9-11,13,16H,7-8H2,1-3H3,(H,19,22)
InChIKeyALFUXFUCRMMNMI-UHFFFAOYSA-N
XLogP3.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-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

Related Compounds

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 118778490
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 70738649
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 97127947
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 118766529
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide
CID 126423675
N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 125164990
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 77080300
5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 74231777
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
CID 97454673
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 99946822
1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 97195530

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 119062587) is N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide is Cc1cccc(C(NC(=O)c2ccn(C(C)C)n2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is ALFUXFUCRMMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(2)21-10-9-15(20-21)17(22)19-16(13-7-8-13)14-6-4-5-12(3)18-14/h4-6,9-11,13,16H,7-8H2,1-3H3,(H,19,22).
What are the key properties of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 119062587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).