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

C26H24Cl2N4O — CID 69112336

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCC1C(C(=O)NN2CCc3ccccc32)=NN(c2ccccc2Cl)C1c1ccc(Cl)cc1
InChIInChI=1S/C26H24Cl2N4O/c1-2-20-24(26(33)30-31-16-15-17-7-3-5-9-22(17)31)29-32(23-10-6-4-8-21(23)28)25(20)18-11-13-19(27)14-12-18/h3-14,20,25H,2,15-16H2,1H3,(H,30,33)
InChIKeyUUQHUJZXBKIXCR-UHFFFAOYSA-N
MW479.41 g/mol
LogP6.03
Rot. Bonds5

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

2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 69112336) has the molecular formula C26H24Cl2N4O and a molecular weight of 479.41 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID69112336
Molecular FormulaC26H24Cl2N4O
Molecular Weight479.41 g/mol
Exact Mass478.13
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCC1C(C(=O)NN2CCc3ccccc32)=NN(c2ccccc2Cl)C1c1ccc(Cl)cc1
InChIInChI=1S/C26H24Cl2N4O/c1-2-20-24(26(33)30-31-16-15-17-7-3-5-9-22(17)31)29-32(23-10-6-4-8-21(23)28)25(20)18-11-13-19(27)14-12-18/h3-14,20,25H,2,15-16H2,1H3,(H,30,33)
InChIKeyUUQHUJZXBKIXCR-UHFFFAOYSA-N
XLogP6.03
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.41
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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,4S)-2-(2-amino-4-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 143395341
(3S,4R)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 15987446
(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,4S)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carbonyl chloride
CID 87118573
(3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69112839
(3R,4S)-N-(azepan-1-yl)-2-(2-chlorophenyl)-3-(4-iodophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69112005
azepan-1-yl-[2-(2,4-dichlorophenyl)-4-ethyl-3-phenyl-3,4-dihydropyrazol-5-yl]methanone;tungsten
CID 59829029
(3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 69113143
N-[(3R,4R)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carbonyl]azepan-1-amine oxide
CID 87698992
N-[(3S,4S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carbonyl]azepan-1-amine oxide
CID 87698735
(3S,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 15986459

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide (CID 69112336) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide is CCC1C(C(=O)NN2CCc3ccccc32)=NN(c2ccccc2Cl)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is UUQHUJZXBKIXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O/c1-2-20-24(26(33)30-31-16-15-17-7-3-5-9-22(17)31)29-32(23-10-6-4-8-21(23)28)25(20)18-11-13-19(27)14-12-18/h3-14,20,25H,2,15-16H2,1H3,(H,30,33).
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 479.41 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(2,3-dihydroindol-1-yl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 69112336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).