4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide

C13H15N3O — CID 118709050

IUPAC4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
SMILESCc1ccc(CNC(=O)n2cc(C)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-10-3-5-12(6-4-10)8-14-13(17)16-9-11(2)7-15-16/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyOKJVNOWCJVMVGT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.26
Rot. Bonds2

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

4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 118709050) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
PubChem CID118709050
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
SMILESCc1ccc(CNC(=O)n2cc(C)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-10-3-5-12(6-4-10)8-14-13(17)16-9-11(2)7-15-16/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyOKJVNOWCJVMVGT-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide
CID 123422168
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
4-[(4-methylphenyl)methylamino]pent-3-en-2-one
CID 4854696
N-[(4-methylphenyl)methyl]butanamide
CID 835678
(3R)-3-(1-ethylpyrazol-4-yl)-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 129478093
N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide
CID 2271421
N-[(4-methylphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 2274015
N,4-diethylpyrazole-1-carboxamide
CID 155403649

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide (CID 118709050) is 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide is Cc1ccc(CNC(=O)n2cc(C)cn2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is OKJVNOWCJVMVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-3-5-12(6-4-10)8-14-13(17)16-9-11(2)7-15-16/h3-7,9H,8H2,1-2H3,(H,14,17).
What are the key properties of 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?
4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 118709050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).