(3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride

C20H22Cl4N4OS — CID 69111837

IUPAC(3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
SMILESC[C@H]1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)s1.Cl
InChIInChI=1S/C20H21Cl3N4OS.ClH/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16;/h5-8,11-12,19H,2-4,9-10H2,1H3,(H,25,28);1H/t12-,19-;/m0./s1
InChIKeyJYBIWQYMBYGIIL-UCCPLDSOSA-N
MW508.30 g/mol
LogP6.20
Rot. Bonds4

About (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride

(3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride (PubChem CID 69111837) has the molecular formula C20H22Cl4N4OS and a molecular weight of 508.30 g/mol. Its IUPAC name is (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
PubChem CID69111837
Molecular FormulaC20H22Cl4N4OS
Molecular Weight508.30 g/mol
Exact Mass506.03
IUPAC Name(3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
SMILESC[C@H]1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)s1.Cl
InChIInChI=1S/C20H21Cl3N4OS.ClH/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16;/h5-8,11-12,19H,2-4,9-10H2,1H3,(H,25,28);1H/t12-,19-;/m0./s1
InChIKeyJYBIWQYMBYGIIL-UCCPLDSOSA-N
XLogP6.20
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.30
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride 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,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-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
N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 57453050
(3R,4S)-2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69111938
(3S,4R)-3-(5-chloro-2,3-dihydrothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 71213508
(3S,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 15986459
(3S,4R)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 15987446
(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-chlorophenyl)-4-methyl-N-piperidin-1-yl-3-thiophen-2-yl-3,4-dihydropyrazole-5-carboxamide
CID 69112635
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 57453008

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?
The IUPAC name of (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride (CID 69111837) is (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride is C[C@H]1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)s1.Cl.
What is the InChIKey of (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?
The InChIKey is JYBIWQYMBYGIIL-UCCPLDSOSA-N. The full InChI is InChI=1S/C20H21Cl3N4OS.ClH/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16;/h5-8,11-12,19H,2-4,9-10H2,1H3,(H,25,28);1H/t12-,19-;/m0./s1.
What are the key properties of (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?
(3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride has a molecular weight of 508.30 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 69111837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).