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

C14H17N3O — CID 112528913

IUPAC2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C14H17N3O/c1-11-3-5-12(6-4-11)7-9-15-14(18)13-8-10-16-17(13)2/h3-6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyOYMNMNFWYSVJMC-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.70
Rot. Bonds4

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

2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 112528913) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID112528913
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C14H17N3O/c1-11-3-5-12(6-4-11)7-9-15-14(18)13-8-10-16-17(13)2/h3-6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyOYMNMNFWYSVJMC-UHFFFAOYSA-N
XLogP1.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
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CID 61344724
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 155801056
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide
CID 71688492
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
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CID 110467140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide (CID 112528913) is 2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide is Cc1ccc(CCNC(=O)c2ccnn2C)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is OYMNMNFWYSVJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-3-5-12(6-4-11)7-9-15-14(18)13-8-10-16-17(13)2/h3-6,8,10H,7,9H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide?
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 112528913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).