N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C18H17N3O — CID 8889561

IUPACN-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H17N3O/c1-13-7-5-6-10-15(13)12-19-18(22)17-11-16(20-21-17)14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyPKZMTWGTZLHZLN-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.32
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 8889561) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID8889561
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H17N3O/c1-13-7-5-6-10-15(13)12-19-18(22)17-11-16(20-21-17)14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyPKZMTWGTZLHZLN-UHFFFAOYSA-N
XLogP3.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
3-(3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918354
N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59017950
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47916064
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 8889561) is N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is Cc1ccccc1CNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is PKZMTWGTZLHZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-7-5-6-10-15(13)12-19-18(22)17-11-16(20-21-17)14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 8889561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).