N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H10FN3O2 — CID 64795165

IUPACN-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C11H10FN3O2/c1-6-8(5-13-15-6)11(17)14-10-3-2-7(16)4-9(10)12/h2-5,16H,1H3,(H,13,15)(H,14,17)
InChIKeyOQTLJIOXDDHEON-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.82
Rot. Bonds2

About N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 64795165) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID64795165
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C11H10FN3O2/c1-6-8(5-13-15-6)11(17)14-10-3-2-7(16)4-9(10)12/h2-5,16H,1H3,(H,13,15)(H,14,17)
InChIKeyOQTLJIOXDDHEON-UHFFFAOYSA-N
XLogP1.82
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 64795165) is N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1ccc(O)cc1F.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is OQTLJIOXDDHEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-8(5-13-15-6)11(17)14-10-3-2-7(16)4-9(10)12/h2-5,16H,1H3,(H,13,15)(H,14,17).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64795165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).