N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide

C13H15N3O2 — CID 19279593

IUPACN-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)n(C)n2)c1
InChIInChI=1S/C13H15N3O2/c1-9-7-12(15-16(9)2)13(17)14-10-5-4-6-11(8-10)18-3/h4-8H,1-3H3,(H,14,17)
InChIKeyKDPYENMMSPFJDH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds3

About N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide

N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19279593) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19279593
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)n(C)n2)c1
InChIInChI=1S/C13H15N3O2/c1-9-7-12(15-16(9)2)13(17)14-10-5-4-6-11(8-10)18-3/h4-8H,1-3H3,(H,14,17)
InChIKeyKDPYENMMSPFJDH-UHFFFAOYSA-N
XLogP1.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267596
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
CID 166752154
N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113290195
N-(4-bromo-3-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110685830
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 19279593) is N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide is COc1cccc(NC(=O)c2cc(C)n(C)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is KDPYENMMSPFJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-7-12(15-16(9)2)13(17)14-10-5-4-6-11(8-10)18-3/h4-8H,1-3H3,(H,14,17).
What are the key properties of N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19279593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).