(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide

C22H21Cl3N4O — CID 69112439

IUPAC(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESC[C@H]1C(C(=O)NN2C=CCCC2)=NN(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h3,5-11,13-14,21H,2,4,12H2,1H3,(H,27,30)/t14-,21+/m0/s1
InChIKeyPXGWBQWHJCUBIR-LHSJRXKWSA-N
MW463.80 g/mol
LogP5.84
Rot. Bonds4

About (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide

(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 69112439) has the molecular formula C22H21Cl3N4O and a molecular weight of 463.80 g/mol. Its IUPAC name is (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID69112439
Molecular FormulaC22H21Cl3N4O
Molecular Weight463.80 g/mol
Exact Mass462.08
IUPAC Name(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESC[C@H]1C(C(=O)NN2C=CCCC2)=NN(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h3,5-11,13-14,21H,2,4,12H2,1H3,(H,27,30)/t14-,21+/m0/s1
InChIKeyPXGWBQWHJCUBIR-LHSJRXKWSA-N
XLogP5.84
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.80
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-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

Related Compounds

(3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 158469376
(3S,4S)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 51346993
(3S,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 15986459
(3S,4S)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3-hydroxypiperidin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69111901
(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide
CID 15986129
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(4-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 57453000
(3S,4R)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69112451
(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 15986551
(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide;(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 160863969
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69112066
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 69112097
(3R,4S)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ium-2-yl)-3,4-dihydropyrazole-5-carboxamide
CID 71213817

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide (CID 69112439) is (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide is C[C@H]1C(C(=O)NN2C=CCCC2)=NN(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is PXGWBQWHJCUBIR-LHSJRXKWSA-N. The full InChI is InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h3,5-11,13-14,21H,2,4,12H2,1H3,(H,27,30)/t14-,21+/m0/s1.
What are the key properties of (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 463.80 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyridin-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 69112439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).