1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide

C20H21N3O — CID 67782203

IUPAC1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1cc(C)n(Cc2ccccc2)n1
InChIInChI=1S/C20H21N3O/c1-15-9-7-8-12-19(15)22(3)20(24)18-13-16(2)23(21-18)14-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3
InChIKeyMPCLYSMMOFQNTE-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.82
Rot. Bonds4

About 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide

1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 67782203) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide
PubChem CID67782203
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1cc(C)n(Cc2ccccc2)n1
InChIInChI=1S/C20H21N3O/c1-15-9-7-8-12-19(15)22(3)20(24)18-13-16(2)23(21-18)14-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3
InChIKeyMPCLYSMMOFQNTE-UHFFFAOYSA-N
XLogP3.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzyl-5-methylpyrazol-3-yl)ethanone
CID 91343966
1-benzyl-5-methylpyrazole-3-carbohydrazide
CID 26597167
1-[(4-bromophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82307972
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
1-[(3-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295044
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 162444700
5-(aminomethyl)-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 63723383
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 139467373
N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 91004769
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide (CID 67782203) is 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide is Cc1ccccc1N(C)C(=O)c1cc(C)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is MPCLYSMMOFQNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-9-7-8-12-19(15)22(3)20(24)18-13-16(2)23(21-18)14-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3.
What are the key properties of 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide?
1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 67782203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).