N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

C23H25ClN4O2 — CID 178186742

IUPACN-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESC=CCN1CC(C(=O)Nc2ccc(C)c(Cl)c2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C23H25ClN4O2/c1-3-11-27-13-18(22(29)25-16-10-9-15(2)20(24)12-16)21-19(14-27)23(30)28(26-21)17-7-5-4-6-8-17/h3-10,12,18-19,21,26H,1,11,13-14H2,2H3,(H,25,29)
InChIKeyCBLDJMDYJYODHC-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.24
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 178186742) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID178186742
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESC=CCN1CC(C(=O)Nc2ccc(C)c(Cl)c2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C23H25ClN4O2/c1-3-11-27-13-18(22(29)25-16-10-9-15(2)20(24)12-16)21-19(14-27)23(30)28(26-21)17-7-5-4-6-8-17/h3-10,12,18-19,21,26H,1,11,13-14H2,2H3,(H,25,29)
InChIKeyCBLDJMDYJYODHC-UHFFFAOYSA-N
XLogP3.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide 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-[(2,6-difluorophenyl)methyl]-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187247
N-(4-bromo-2-methylphenyl)-3-oxo-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178186736
5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187947
N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187396
N-(2,2-dimethoxyethyl)-3-oxo-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187728
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178186547
5-ethyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187721
5-ethyl-7-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178188116
6-[(3-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 588270
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
2-[(6-benzyl-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 78262195

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (CID 178186742) is N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is C=CCN1CC(C(=O)Nc2ccc(C)c(Cl)c2)C2NN(c3ccccc3)C(=O)C2C1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is CBLDJMDYJYODHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-3-11-27-13-18(22(29)25-16-10-9-15(2)20(24)12-16)21-19(14-27)23(30)28(26-21)17-7-5-4-6-8-17/h3-10,12,18-19,21,26H,1,11,13-14H2,2H3,(H,25,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 178186742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).