N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide

C18H15FN4O3 — CID 58810299

IUPACN-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC(=O)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C18H15FN4O3/c19-12-6-7-15(24)13(8-12)17(25)21-16-9-14(22-23-16)18(26)20-10-11-4-2-1-3-5-11/h1-9,24H,10H2,(H,20,26)(H2,21,22,23,25)
InChIKeyXVTPKSFOOPQFSF-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.44
Rot. Bonds5

About N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide

N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 58810299) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID58810299
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC(=O)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C18H15FN4O3/c19-12-6-7-15(24)13(8-12)17(25)21-16-9-14(22-23-16)18(26)20-10-11-4-2-1-3-5-11/h1-9,24H,10H2,(H,20,26)(H2,21,22,23,25)
InChIKeyXVTPKSFOOPQFSF-UHFFFAOYSA-N
XLogP2.44
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-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-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 58810299) is N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C(NCc1ccccc1)c1cc(NC(=O)c2cc(F)ccc2O)n[nH]1.
What is the InChIKey of N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is XVTPKSFOOPQFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-12-6-7-15(24)13(8-12)17(25)21-16-9-14(22-23-16)18(26)20-10-11-4-2-1-3-5-11/h1-9,24H,10H2,(H,20,26)(H2,21,22,23,25).
What are the key properties of N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(5-fluoro-2-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58810299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).