4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide

C13H16N4O2 — CID 65354485

IUPAC4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)cc2N)c(C)c1
InChIInChI=1S/C13H16N4O2/c1-8-6-9(19-3)4-5-11(8)15-13(18)12-10(14)7-17(2)16-12/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyWWRDQWIBWXXMJK-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.57
Rot. Bonds3

About 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 65354485) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID65354485
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)cc2N)c(C)c1
InChIInChI=1S/C13H16N4O2/c1-8-6-9(19-3)4-5-11(8)15-13(18)12-10(14)7-17(2)16-12/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyWWRDQWIBWXXMJK-UHFFFAOYSA-N
XLogP1.57
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103078443
4-amino-3-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 107075184
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 66481317
4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 65354301
4-amino-N-(4-methoxy-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240718
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110860027
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314
3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62873358

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide (CID 65354485) is 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(NC(=O)c2nn(C)cc2N)c(C)c1.
What is the InChIKey of 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is WWRDQWIBWXXMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-6-9(19-3)4-5-11(8)15-13(18)12-10(14)7-17(2)16-12/h4-7H,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).