3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide

C18H13FN4O — CID 19404955

IUPAC3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1
InChIInChI=1S/C18H13FN4O/c19-16-6-2-4-14(10-16)12-23-8-7-17(22-23)21-18(24)15-5-1-3-13(9-15)11-20/h1-10H,12H2,(H,21,22,24)
InChIKeyDYOTXRDULCPVBH-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.19
Rot. Bonds4

About 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide

3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19404955) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19404955
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1
InChIInChI=1S/C18H13FN4O/c19-16-6-2-4-14(10-16)12-23-8-7-17(22-23)21-18(24)15-5-1-3-13(9-15)11-20/h1-10H,12H2,(H,21,22,24)
InChIKeyDYOTXRDULCPVBH-UHFFFAOYSA-N
XLogP3.19
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19398566
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 19407437
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19404982
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19404881
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 35274293
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479975

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19404955) is 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide is N#Cc1cccc(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1.
What is the InChIKey of 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is DYOTXRDULCPVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-16-6-2-4-14(10-16)12-23-8-7-17(22-23)21-18(24)15-5-1-3-13(9-15)11-20/h1-10H,12H2,(H,21,22,24).
What are the key properties of 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 320.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19404955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).