N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide

C20H19ClN4S — CID 3251004

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide
SMILESCC1Cc2ccccc2N1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN4S/c1-14-12-16-4-2-3-5-18(16)25(14)20(26)22-19-10-11-24(23-19)13-15-6-8-17(21)9-7-15/h2-11,14H,12-13H2,1H3,(H,22,23,26)
InChIKeyJAMVPARARUMFRC-UHFFFAOYSA-N
MW382.92 g/mol
LogP4.73
Rot. Bonds3

About N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide (PubChem CID 3251004) has the molecular formula C20H19ClN4S and a molecular weight of 382.92 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide
PubChem CID3251004
Molecular FormulaC20H19ClN4S
Molecular Weight382.92 g/mol
Exact Mass382.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide
SMILESCC1Cc2ccccc2N1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN4S/c1-14-12-16-4-2-3-5-18(16)25(14)20(26)22-19-10-11-24(23-19)13-15-6-8-17(21)9-7-15/h2-11,14H,12-13H2,1H3,(H,22,23,26)
InChIKeyJAMVPARARUMFRC-UHFFFAOYSA-N
XLogP4.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide 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-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19399326
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 8619560
(2R)-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-1-carbothioamide
CID 40576503
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
(2S)-N-(4-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7733596
N-(4-butan-2-ylphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 17283940
1-(3-chlorophenyl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 17383740
(2S)-2-methyl-N-(4-sulfamoylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 972032
N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089852
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 8579130
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284701

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide (CID 3251004) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide is CC1Cc2ccccc2N1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide?
The InChIKey is JAMVPARARUMFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4S/c1-14-12-16-4-2-3-5-18(16)25(14)20(26)22-19-10-11-24(23-19)13-15-6-8-17(21)9-7-15/h2-11,14H,12-13H2,1H3,(H,22,23,26).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide has a molecular weight of 382.92 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 3251004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).