1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide

C12H13N5O2 — CID 82999798

IUPAC1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(-n2ccc(C(N)=O)n2)c(N)c1
InChIInChI=1S/C12H13N5O2/c1-15-12(19)7-2-3-10(8(13)6-7)17-5-4-9(16-17)11(14)18/h2-6H,13H2,1H3,(H2,14,18)(H,15,19)
InChIKeyUTQKWPWGBXMIHV-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.09
Rot. Bonds3

About 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide

1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 82999798) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID82999798
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(-n2ccc(C(N)=O)n2)c(N)c1
InChIInChI=1S/C12H13N5O2/c1-15-12(19)7-2-3-10(8(13)6-7)17-5-4-9(16-17)11(14)18/h2-6H,13H2,1H3,(H2,14,18)(H,15,19)
InChIKeyUTQKWPWGBXMIHV-UHFFFAOYSA-N
XLogP-0.09
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 82999798) is 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide is CNC(=O)c1ccc(-n2ccc(C(N)=O)n2)c(N)c1.
What is the InChIKey of 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is UTQKWPWGBXMIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-15-12(19)7-2-3-10(8(13)6-7)17-5-4-9(16-17)11(14)18/h2-6H,13H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 259.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 82999798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).