[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

C21H19ClN4O3 — CID 60553328

IUPAC[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)c1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN4O3/c1-13(2)20-18(12-23-25(20)16-5-3-4-15(22)10-16)21(27)24-9-8-14-6-7-17(26(28)29)11-19(14)24/h3-7,10-13H,8-9H2,1-2H3
InChIKeyABZYFCKOLPHNMM-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.76
Rot. Bonds4

About [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 60553328) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID60553328
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)c1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN4O3/c1-13(2)20-18(12-23-25(20)16-5-3-4-15(22)10-16)21(27)24-9-8-14-6-7-17(26(28)29)11-19(14)24/h3-7,10-13H,8-9H2,1-2H3
InChIKeyABZYFCKOLPHNMM-UHFFFAOYSA-N
XLogP4.76
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone 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

[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110885879
[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110306395
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 30836120
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
2-[(3-chlorophenyl)methylsulfanyl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162461
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110885866
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46583951
(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
4-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720927

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (CID 60553328) is [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is CC(C)c1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1-c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ABZYFCKOLPHNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-13(2)20-18(12-23-25(20)16-5-3-4-15(22)10-16)21(27)24-9-8-14-6-7-17(26(28)29)11-19(14)24/h3-7,10-13H,8-9H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 410.86 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 60553328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).