N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide

C13H15N3O2 — CID 19481236

IUPACN-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nn2C)c1
InChIInChI=1S/C13H15N3O2/c1-9-7-12(16(2)15-9)13(17)14-10-5-4-6-11(8-10)18-3/h4-8H,1-3H3,(H,14,17)
InChIKeyPDGTUHFSQZPGJH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds3

About N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide

N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 19481236) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID19481236
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nn2C)c1
InChIInChI=1S/C13H15N3O2/c1-9-7-12(16(2)15-9)13(17)14-10-5-4-6-11(8-10)18-3/h4-8H,1-3H3,(H,14,17)
InChIKeyPDGTUHFSQZPGJH-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-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16802504
N-[3-(chloromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114293272
N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088720
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088704
4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623911
N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267596
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 4617866

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 19481236) is N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide is COc1cccc(NC(=O)c2cc(C)nn2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is PDGTUHFSQZPGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-7-12(16(2)15-9)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)-2,5-dimethylpyrazole-3-carboxamide?
N-(3-methoxyphenyl)-2,5-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)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19481236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).