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

C27H24N4O2 — CID 134152345

IUPACN-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3cc(-c4ccncc4)n[nH]3)c2)cc1
InChIInChI=1S/C27H24N4O2/c1-18(2)20-9-6-19(7-10-20)8-11-26(32)22-4-3-5-23(16-22)29-27(33)25-17-24(30-31-25)21-12-14-28-15-13-21/h3-18H,1-2H3,(H,29,33)(H,30,31)/b11-8+
InChIKeyGOQPJSGBEXDYCY-DHZHZOJOSA-N
MW436.52 g/mol
LogP5.74
Rot. Bonds7

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

N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 134152345) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID134152345
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3cc(-c4ccncc4)n[nH]3)c2)cc1
InChIInChI=1S/C27H24N4O2/c1-18(2)20-9-6-19(7-10-20)8-11-26(32)22-4-3-5-23(16-22)29-27(33)25-17-24(30-31-25)21-12-14-28-15-13-21/h3-18H,1-2H3,(H,29,33)(H,30,31)/b11-8+
InChIKeyGOQPJSGBEXDYCY-DHZHZOJOSA-N
XLogP5.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.74
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-(4-propan-2-ylphenyl)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-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 134152345) is N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is CC(C)c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3cc(-c4ccncc4)n[nH]3)c2)cc1.
What is the InChIKey of N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is GOQPJSGBEXDYCY-DHZHZOJOSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-18(2)20-9-6-19(7-10-20)8-11-26(32)22-4-3-5-23(16-22)29-27(33)25-17-24(30-31-25)21-12-14-28-15-13-21/h3-18H,1-2H3,(H,29,33)(H,30,31)/b11-8+.
What are the key properties of N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 134152345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).