N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

C13H15N3O — CID 20865070

IUPACN-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)[nH]n2)c(C)c1
InChIInChI=1S/C13H15N3O/c1-8-4-5-11(9(2)6-8)14-13(17)12-7-10(3)15-16-12/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeyCEPOASPORIUJKE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.59
Rot. Bonds2

About N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 20865070) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID20865070
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)[nH]n2)c(C)c1
InChIInChI=1S/C13H15N3O/c1-8-4-5-11(9(2)6-8)14-13(17)12-7-10(3)15-16-12/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeyCEPOASPORIUJKE-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 110857186
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N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55554654
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 110857188
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
5-methyl-N-(3-methyl-2-pyridinyl)-1H-pyrazole-3-carboxamide
CID 47293177
N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292628
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CID 47321455

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 20865070) is N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C)[nH]n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CEPOASPORIUJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-4-5-11(9(2)6-8)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-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(2,4-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-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20865070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).