5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide

C14H17N3O — CID 20918272

IUPAC5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(C)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-3-5-12(6-4-10)7-8-15-14(18)13-9-11(2)16-17-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXQKPWOKNBZRPEN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.00
Rot. Bonds4

About 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 20918272) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID20918272
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(C)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-3-5-12(6-4-10)7-8-15-14(18)13-9-11(2)16-17-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXQKPWOKNBZRPEN-UHFFFAOYSA-N
XLogP2.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide (CID 20918272) is 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide is Cc1ccc(CCNC(=O)c2cc(C)[nH]n2)cc1.
What is the InChIKey of 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is XQKPWOKNBZRPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-5-12(6-4-10)7-8-15-14(18)13-9-11(2)16-17-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20918272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).