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

C17H14ClN3O — CID 1246685

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C17H14ClN3O/c18-15-8-6-13(7-9-15)12-21-11-10-16(20-21)19-17(22)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,20,22)
InChIKeyVHPHKWPULFOYHB-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.84
Rot. Bonds4

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 1246685) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID1246685
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C17H14ClN3O/c18-15-8-6-13(7-9-15)12-21-11-10-16(20-21)19-17(22)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,20,22)
InChIKeyVHPHKWPULFOYHB-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 1246685) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccccc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is VHPHKWPULFOYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-15-8-6-13(7-9-15)12-21-11-10-16(20-21)19-17(22)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,20,22).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 311.77 g/mol, XLogP of 3.84, 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]benzamide is sourced from PubChem (CID 1246685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).