N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C15H19N3O — CID 166222223

IUPACN-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2ccccc2C)c1C(C)C
InChIInChI=1S/C15H19N3O/c1-10(2)14-12(15(19)16-4)9-17-18(14)13-8-6-5-7-11(13)3/h5-10H,1-4H3,(H,16,19)
InChIKeyLDZOBKAPDXWMAQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.66
Rot. Bonds3

About N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 166222223) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID166222223
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2ccccc2C)c1C(C)C
InChIInChI=1S/C15H19N3O/c1-10(2)14-12(15(19)16-4)9-17-18(14)13-8-6-5-7-11(13)3/h5-10H,1-4H3,(H,16,19)
InChIKeyLDZOBKAPDXWMAQ-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 166222223) is N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is CNC(=O)c1cnn(-c2ccccc2C)c1C(C)C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is LDZOBKAPDXWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)14-12(15(19)16-4)9-17-18(14)13-8-6-5-7-11(13)3/h5-10H,1-4H3,(H,16,19).
What are the key properties of N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 166222223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).