4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide

C21H21Cl3N4O — CID 23653997

IUPAC4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)CC1c1ccc(Cl)cc1
InChIInChI=1S/C21H21Cl3N4O/c22-15-6-4-14(5-7-15)17-13-28(19-9-8-16(23)12-18(19)24)25-20(17)21(29)26-27-10-2-1-3-11-27/h4-9,12,17H,1-3,10-11,13H2,(H,26,29)
InChIKeyQDGVYZXJDVXTJH-UHFFFAOYSA-N
MW451.79 g/mol
LogP5.12
Rot. Bonds4

About 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide

4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 23653997) has the molecular formula C21H21Cl3N4O and a molecular weight of 451.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID23653997
Molecular FormulaC21H21Cl3N4O
Molecular Weight451.79 g/mol
Exact Mass450.08
IUPAC Name4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)CC1c1ccc(Cl)cc1
InChIInChI=1S/C21H21Cl3N4O/c22-15-6-4-14(5-7-15)17-13-28(19-9-8-16(23)12-18(19)24)25-20(17)21(29)26-27-10-2-1-3-11-27/h4-9,12,17H,1-3,10-11,13H2,(H,26,29)
InChIKeyQDGVYZXJDVXTJH-UHFFFAOYSA-N
XLogP5.12
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.79
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 57453008
(3S,4R)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69112451
N-(azepan-1-yl)-4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3H-pyrazole-5-carboxamide;hydrochloride
CID 69303298
(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
(3S)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;methanesulfonic acid
CID 87639880
(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;methanesulfonic acid
CID 173125791
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;thiocyanic acid
CID 87794172
(3R)-2-(2,4-dichlorophenyl)-3-iodo-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 89378026
2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
CID 44545346
N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 67248946
(3S)-N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 69381529

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 23653997) is 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)CC1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is QDGVYZXJDVXTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl3N4O/c22-15-6-4-14(5-7-15)17-13-28(19-9-8-16(23)12-18(19)24)25-20(17)21(29)26-27-10-2-1-3-11-27/h4-9,12,17H,1-3,10-11,13H2,(H,26,29).
What are the key properties of 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 451.79 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 23653997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).