N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide

C17H13ClFN3O — CID 3713523

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc(F)c1
InChIInChI=1S/C17H13ClFN3O/c18-14-6-4-12(5-7-14)11-22-9-8-16(21-22)20-17(23)13-2-1-3-15(19)10-13/h1-10H,11H2,(H,20,21,23)
InChIKeyRBNGWWUPKBBJLV-UHFFFAOYSA-N
MW329.76 g/mol
LogP3.98
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 3713523) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
PubChem CID3713523
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc(F)c1
InChIInChI=1S/C17H13ClFN3O/c18-14-6-4-12(5-7-14)11-22-9-8-16(21-22)20-17(23)13-2-1-3-15(19)10-13/h1-10H,11H2,(H,20,21,23)
InChIKeyRBNGWWUPKBBJLV-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide 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-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide (CID 3713523) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc(F)c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is RBNGWWUPKBBJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c18-14-6-4-12(5-7-14)11-22-9-8-16(21-22)20-17(23)13-2-1-3-15(19)10-13/h1-10H,11H2,(H,20,21,23).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 329.76 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 3713523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).