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

C23H25Cl3N4O — CID 57453008

IUPAC3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESCCC1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl3N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14,18,22H,2-5,12-13H2,1H3,(H,28,31)
InChIKeyHPCIVBOVPSBWCJ-UHFFFAOYSA-N
MW479.84 g/mol
LogP6.11
Rot. Bonds5

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

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 57453008) has the molecular formula C23H25Cl3N4O and a molecular weight of 479.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID57453008
Molecular FormulaC23H25Cl3N4O
Molecular Weight479.84 g/mol
Exact Mass478.11
IUPAC Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESCCC1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl3N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14,18,22H,2-5,12-13H2,1H3,(H,28,31)
InChIKeyHPCIVBOVPSBWCJ-UHFFFAOYSA-N
XLogP6.11
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.84
LogP ≤ 56.11
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
(3S,4S)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide
CID 69112485
(3S,4R)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69112451
(3R,4S)-2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69111938
N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 57453050
(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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide
CID 69112869
(3S,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 15986459
2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
CID 44545346
azepan-1-yl-[2-(2,4-dichlorophenyl)-4-ethyl-3-phenyl-3,4-dihydropyrazol-5-yl]methanone;tungsten
CID 59829029
(3S,4R)-3-(4-bromo-2,3-dihydrothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 71213492
(3S,4R)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 15987446

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 57453008) is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is CCC1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is HPCIVBOVPSBWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14,18,22H,2-5,12-13H2,1H3,(H,28,31).
What are the key properties of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 479.84 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 57453008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).