5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide

C19H15Cl2N5O2 — CID 71844386

IUPAC5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)N1CCc2cc(NC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)ccc21
InChIInChI=1S/C19H15Cl2N5O2/c20-13-1-3-17(15(21)8-13)26-10-12(9-23-26)18(27)24-14-2-4-16-11(7-14)5-6-25(16)19(22)28/h1-4,7-10H,5-6H2,(H2,22,28)(H,24,27)
InChIKeyKNGHUEBQCJFKNI-UHFFFAOYSA-N
MW416.27 g/mol
LogP3.87
Rot. Bonds3

About 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide

5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide (PubChem CID 71844386) has the molecular formula C19H15Cl2N5O2 and a molecular weight of 416.27 g/mol. Its IUPAC name is 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
PubChem CID71844386
Molecular FormulaC19H15Cl2N5O2
Molecular Weight416.27 g/mol
Exact Mass415.06
IUPAC Name5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)N1CCc2cc(NC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)ccc21
InChIInChI=1S/C19H15Cl2N5O2/c20-13-1-3-17(15(21)8-13)26-10-12(9-23-26)18(27)24-14-2-4-16-11(7-14)5-6-25(16)19(22)28/h1-4,7-10H,5-6H2,(H2,22,28)(H,24,27)
InChIKeyKNGHUEBQCJFKNI-UHFFFAOYSA-N
XLogP3.87
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-[4-[(S)-methylsulfinyl]phenyl]pyrazole-4-carboxamide
CID 99817151
5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
CID 99701297
1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 68934305
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617967
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(2,4-dichlorophenyl)pyrazol-4-yl]methanone
CID 124690973
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154863010
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,4-dichlorophenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119413440
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119608974

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide (CID 71844386) is 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide is NC(=O)N1CCc2cc(NC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)ccc21.
What is the InChIKey of 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide?
The InChIKey is KNGHUEBQCJFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O2/c20-13-1-3-17(15(21)8-13)26-10-12(9-23-26)18(27)24-14-2-4-16-11(7-14)5-6-25(16)19(22)28/h1-4,7-10H,5-6H2,(H2,22,28)(H,24,27).
What are the key properties of 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide?
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide has a molecular weight of 416.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 71844386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).