N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide

C19H19N3O — CID 18114053

IUPACN-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H19N3O/c1-15-8-6-7-9-16(15)13-21(2)19(23)17-12-20-22(14-17)18-10-4-3-5-11-18/h3-12,14H,13H2,1-2H3
InChIKeyKBPQMVBAQGWBCE-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.45
Rot. Bonds4

About N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide

N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 18114053) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID18114053
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H19N3O/c1-15-8-6-7-9-16(15)13-21(2)19(23)17-12-20-22(14-17)18-10-4-3-5-11-18/h3-12,14H,13H2,1-2H3
InChIKeyKBPQMVBAQGWBCE-UHFFFAOYSA-N
XLogP3.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 18114006
N-(2-bromopropyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 80664984
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 76929282
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119655061
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9379054
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9162740
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide (CID 18114053) is N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide is Cc1ccccc1CN(C)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is KBPQMVBAQGWBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15-8-6-7-9-16(15)13-21(2)19(23)17-12-20-22(14-17)18-10-4-3-5-11-18/h3-12,14H,13H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18114053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).