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

C13H16N4O2 — CID 144571789

IUPAC5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(C)c(N)c2C(N)=O)c(C)c1
InChIInChI=1S/C13H16N4O2/c1-7-6-8(19-3)4-5-9(7)11-10(13(15)18)12(14)17(2)16-11/h4-6H,14H2,1-3H3,(H2,15,18)
InChIKeyYGKQTQIGVKDHLG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.09
Rot. Bonds3

About 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide

5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 144571789) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID144571789
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(C)c(N)c2C(N)=O)c(C)c1
InChIInChI=1S/C13H16N4O2/c1-7-6-8(19-3)4-5-9(7)11-10(13(15)18)12(14)17(2)16-11/h4-6H,14H2,1-3H3,(H2,15,18)
InChIKeyYGKQTQIGVKDHLG-UHFFFAOYSA-N
XLogP1.09
TPSA96.16 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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670816
3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 53418218
5-amino-3-(2-chloro-4-methoxyphenyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)pyrazole-4-carboxamide
CID 73051791
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide
CID 171827657
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 121414715
ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 145106003
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 102883361
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545395
6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976055

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide (CID 144571789) is 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide is COc1ccc(-c2nn(C)c(N)c2C(N)=O)c(C)c1.
What is the InChIKey of 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is YGKQTQIGVKDHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-6-8(19-3)4-5-9(7)11-10(13(15)18)12(14)17(2)16-11/h4-6H,14H2,1-3H3,(H2,15,18).
What are the key properties of 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide?
5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 144571789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).