N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide

C14H17N3O — CID 86925542

IUPACN-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn(C)c2)c(C)c1
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(11(2)6-10)7-15-14(18)13-8-16-17(3)9-13/h4-6,8-9H,7H2,1-3H3,(H,15,18)
InChIKeyQWACOIWXBATBEZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.97
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide

N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 86925542) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID86925542
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn(C)c2)c(C)c1
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(11(2)6-10)7-15-14(18)13-8-16-17(3)9-13/h4-6,8-9H,7H2,1-3H3,(H,15,18)
InChIKeyQWACOIWXBATBEZ-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide (CID 86925542) is N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide is Cc1ccc(CNC(=O)c2cnn(C)c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is QWACOIWXBATBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-5-12(11(2)6-10)7-15-14(18)13-8-16-17(3)9-13/h4-6,8-9H,7H2,1-3H3,(H,15,18).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86925542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).