N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C24H17ClN4O2 — CID 134136384

IUPACN-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(/C=C/c1ccccc1Cl)c1cccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C24H17ClN4O2/c25-20-7-2-1-4-16(20)8-9-23(30)18-5-3-6-19(14-18)27-24(31)22-15-21(28-29-22)17-10-12-26-13-11-17/h1-15H,(H,27,31)(H,28,29)/b9-8+
InChIKeyYAOVWMKJGJUFQZ-CMDGGOBGSA-N
MW428.88 g/mol
LogP5.27
Rot. Bonds6

About N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 134136384) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID134136384
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC NameN-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(/C=C/c1ccccc1Cl)c1cccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C24H17ClN4O2/c25-20-7-2-1-4-16(20)8-9-23(30)18-5-3-6-19(14-18)27-24(31)22-15-21(28-29-22)17-10-12-26-13-11-17/h1-15H,(H,27,31)(H,28,29)/b9-8+
InChIKeyYAOVWMKJGJUFQZ-CMDGGOBGSA-N
XLogP5.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.88
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-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-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 134136384) is N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is O=C(/C=C/c1ccccc1Cl)c1cccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)c1.
What is the InChIKey of N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is YAOVWMKJGJUFQZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c25-20-7-2-1-4-16(20)8-9-23(30)18-5-3-6-19(14-18)27-24(31)22-15-21(28-29-22)17-10-12-26-13-11-17/h1-15H,(H,27,31)(H,28,29)/b9-8+.
What are the key properties of N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 134136384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).