N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide

C17H21N3O — CID 8889054

IUPACN-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-12-7-5-6-10-14(12)18-17(21)16-11-15(19-20-16)13-8-3-2-4-9-13/h2-4,8-9,11-12,14H,5-7,10H2,1H3,(H,18,21)(H,19,20)/t12-,14-/m1/s1
InChIKeyVFDUAHHGVJZVNN-TZMCWYRMSA-N
MW283.37 g/mol
LogP3.39
Rot. Bonds3

About N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 8889054) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID8889054
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-12-7-5-6-10-14(12)18-17(21)16-11-15(19-20-16)13-8-3-2-4-9-13/h2-4,8-9,11-12,14H,5-7,10H2,1H3,(H,18,21)(H,19,20)/t12-,14-/m1/s1
InChIKeyVFDUAHHGVJZVNN-TZMCWYRMSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-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

Related Compounds

1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea
CID 11934609
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-6-phenylpyridine-3-carboxamide
CID 31847366
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1S,2S)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 92736758
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 92736759
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
N-(2-methylcyclohexyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497911
N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119609271
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 24503448
N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrazole-5-carboxamide
CID 59304482
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 114630661

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 8889054) is N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide is C[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is VFDUAHHGVJZVNN-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-7-5-6-10-14(12)18-17(21)16-11-15(19-20-16)13-8-3-2-4-9-13/h2-4,8-9,11-12,14H,5-7,10H2,1H3,(H,18,21)(H,19,20)/t12-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 8889054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).