N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide

C23H26N4O2 — CID 55921204

IUPACN-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide
SMILESCC(c1ccccn1)N(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C1CC1
InChIInChI=1S/C23H26N4O2/c1-17(20-9-5-6-15-24-20)27(19-10-11-19)23(29)13-12-22(28)26-16-14-21(25-26)18-7-3-2-4-8-18/h2-9,15,17,19H,10-14,16H2,1H3
InChIKeyKJGZQUABUVWCBR-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.55
Rot. Bonds7

About N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide

N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide (PubChem CID 55921204) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide
PubChem CID55921204
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide
SMILESCC(c1ccccn1)N(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C1CC1
InChIInChI=1S/C23H26N4O2/c1-17(20-9-5-6-15-24-20)27(19-10-11-19)23(29)13-12-22(28)26-16-14-21(25-26)18-7-3-2-4-8-18/h2-9,15,17,19H,10-14,16H2,1H3
InChIKeyKJGZQUABUVWCBR-UHFFFAOYSA-N
XLogP3.55
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide 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-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide?
The IUPAC name of N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide (CID 55921204) is N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide?
The canonical SMILES for N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide is CC(c1ccccn1)N(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide?
The InChIKey is KJGZQUABUVWCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(20-9-5-6-15-24-20)27(19-10-11-19)23(29)13-12-22(28)26-16-14-21(25-26)18-7-3-2-4-8-18/h2-9,15,17,19H,10-14,16H2,1H3.
What are the key properties of N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide?
N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide has a molecular weight of 390.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 55921204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).