N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide

C20H19N5O — CID 2078814

IUPACN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
SMILESN#Cc1c(CCCNC(=O)c2ccccc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C20H19N5O/c21-14-17-18(24-25(19(17)22)16-10-5-2-6-11-16)12-7-13-23-20(26)15-8-3-1-4-9-15/h1-6,8-11H,7,12-13,22H2,(H,23,26)
InChIKeyFTIKQUJGQMKEMH-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.69
Rot. Bonds6

About N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide (PubChem CID 2078814) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
PubChem CID2078814
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
SMILESN#Cc1c(CCCNC(=O)c2ccccc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C20H19N5O/c21-14-17-18(24-25(19(17)22)16-10-5-2-6-11-16)12-7-13-23-20(26)15-8-3-1-4-9-15/h1-6,8-11H,7,12-13,22H2,(H,23,26)
InChIKeyFTIKQUJGQMKEMH-UHFFFAOYSA-N
XLogP2.69
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide 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-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide?
The IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide (CID 2078814) is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide.
What is the SMILES notation for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide?
The canonical SMILES for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide is N#Cc1c(CCCNC(=O)c2ccccc2)nn(-c2ccccc2)c1N.
What is the InChIKey of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide?
The InChIKey is FTIKQUJGQMKEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-14-17-18(24-25(19(17)22)16-10-5-2-6-11-16)12-7-13-23-20(26)15-8-3-1-4-9-15/h1-6,8-11H,7,12-13,22H2,(H,23,26).
What are the key properties of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide?
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide has a molecular weight of 345.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide is sourced from PubChem (CID 2078814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).