N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide

C26H31ClN4O2 — CID 4275920

IUPACN'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide
SMILESCCCCCCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C26H31ClN4O2/c1-2-3-4-8-18-28-25(32)12-9-13-26(33)29-24-19-23(20-10-6-5-7-11-20)30-31(24)22-16-14-21(27)15-17-22/h5-7,10-11,14-17,19H,2-4,8-9,12-13,18H2,1H3,(H,28,32)(H,29,33)
InChIKeyYOUYYVZYENYODA-UHFFFAOYSA-N
MW467.01 g/mol
LogP6.00
Rot. Bonds12

About N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide

N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide (PubChem CID 4275920) has the molecular formula C26H31ClN4O2 and a molecular weight of 467.01 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide
PubChem CID4275920
Molecular FormulaC26H31ClN4O2
Molecular Weight467.01 g/mol
Exact Mass466.21
IUPAC NameN'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide
SMILESCCCCCCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C26H31ClN4O2/c1-2-3-4-8-18-28-25(32)12-9-13-26(33)29-24-19-23(20-10-6-5-7-11-20)30-31(24)22-16-14-21(27)15-17-22/h5-7,10-11,14-17,19H,2-4,8-9,12-13,18H2,1H3,(H,28,32)(H,29,33)
InChIKeyYOUYYVZYENYODA-UHFFFAOYSA-N
XLogP6.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.01
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide 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

N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
CID 4543622
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide
CID 42732017
4-tert-butyl-N-[2-[[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 5091780
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide
CID 3976771
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-ethylamino]acetamide
CID 4543648
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 5033485
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 3653466
N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
CID 5131615
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-pentylhexanamide
CID 3524886
2-[(4-chlorophenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4216356

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide?
The IUPAC name of N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide (CID 4275920) is N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide?
The canonical SMILES for N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide is CCCCCCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide?
The InChIKey is YOUYYVZYENYODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2/c1-2-3-4-8-18-28-25(32)12-9-13-26(33)29-24-19-23(20-10-6-5-7-11-20)30-31(24)22-16-14-21(27)15-17-22/h5-7,10-11,14-17,19H,2-4,8-9,12-13,18H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide?
N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide has a molecular weight of 467.01 g/mol, XLogP of 6.00, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide is sourced from PubChem (CID 4275920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).