1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide

C14H17N3O — CID 841656

IUPAC1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnn(C)c2)c(C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-10(2)13(11(3)6-9)16-14(18)12-7-15-17(4)8-12/h5-8H,1-4H3,(H,16,18)
InChIKeyABXMCKMEGPJYSS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.60
Rot. Bonds2

About 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide

1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide (PubChem CID 841656) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
PubChem CID841656
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnn(C)c2)c(C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-10(2)13(11(3)6-9)16-14(18)12-7-15-17(4)8-12/h5-8H,1-4H3,(H,16,18)
InChIKeyABXMCKMEGPJYSS-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide (CID 841656) is 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2cnn(C)c2)c(C)c1.
What is the InChIKey of 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
The InChIKey is ABXMCKMEGPJYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-5-10(2)13(11(3)6-9)16-14(18)12-7-15-17(4)8-12/h5-8H,1-4H3,(H,16,18).
What are the key properties of 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 841656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).