5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide

C11H12N4O2 — CID 110484171

IUPAC5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H12N4O2/c1-6-2-3-9(16)8(4-6)14-11(17)7-5-13-15-10(7)12/h2-5,16H,1H3,(H,14,17)(H3,12,13,15)
InChIKeyZVVPCMJNYFHDJJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.26
Rot. Bonds2

About 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide

5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 110484171) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID110484171
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H12N4O2/c1-6-2-3-9(16)8(4-6)14-11(17)7-5-13-15-10(7)12/h2-5,16H,1H3,(H,14,17)(H3,12,13,15)
InChIKeyZVVPCMJNYFHDJJ-UHFFFAOYSA-N
XLogP1.26
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide (CID 110484171) is 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide is Cc1ccc(O)c(NC(=O)c2cn[nH]c2N)c1.
What is the InChIKey of 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZVVPCMJNYFHDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-2-3-9(16)8(4-6)14-11(17)7-5-13-15-10(7)12/h2-5,16H,1H3,(H,14,17)(H3,12,13,15).
What are the key properties of 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110484171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).