N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

C13H15N3O — CID 20865072

IUPACN-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C13H15N3O/c1-8-4-5-11(6-9(8)2)14-13(17)12-7-10(3)15-16-12/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeyYTQJIWLDEMLGLC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.59
Rot. Bonds2

About N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 20865072) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID20865072
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C13H15N3O/c1-8-4-5-11(6-9(8)2)14-13(17)12-7-10(3)15-16-12/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeyYTQJIWLDEMLGLC-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110484314
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N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
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5-methyl-N-(3-methyl-2-pyridinyl)-1H-pyrazole-3-carboxamide
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N-(3,4-dimethylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147318
(E)-3-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 20865072) is N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n[nH]1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is YTQJIWLDEMLGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-4-5-11(6-9(8)2)14-13(17)12-7-10(3)15-16-12/h4-7H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20865072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).