5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide

C11H12N4O2 — CID 19855984

IUPAC5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(N)=O)c2N)cc1
InChIInChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyJDFORGBQQYXPDM-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.56
Rot. Bonds3

About 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide

5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 19855984) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID19855984
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(N)=O)c2N)cc1
InChIInChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyJDFORGBQQYXPDM-UHFFFAOYSA-N
XLogP0.56
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 19855984) is 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(N)=O)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is JDFORGBQQYXPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16).
What are the key properties of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19855984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).