1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide

C22H21ClN4O — CID 55581931

IUPAC1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCn2ccc3ccccc32)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN4O/c1-16-20(15-25-27(16)19-8-4-7-18(23)14-19)22(28)24-11-5-12-26-13-10-17-6-2-3-9-21(17)26/h2-4,6-10,13-15H,5,11-12H2,1H3,(H,24,28)
InChIKeyVLGGKPWNGMKJAF-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.61
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide (PubChem CID 55581931) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide
PubChem CID55581931
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCn2ccc3ccccc32)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN4O/c1-16-20(15-25-27(16)19-8-4-7-18(23)14-19)22(28)24-11-5-12-26-13-10-17-6-2-3-9-21(17)26/h2-4,6-10,13-15H,5,11-12H2,1H3,(H,24,28)
InChIKeyVLGGKPWNGMKJAF-UHFFFAOYSA-N
XLogP4.61
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide
CID 91951649
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641440
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 166207086
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 46588855
5-methyl-N-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 91629216
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide (CID 55581931) is 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCCCn2ccc3ccccc32)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is VLGGKPWNGMKJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-16-20(15-25-27(16)19-8-4-7-18(23)14-19)22(28)24-11-5-12-26-13-10-17-6-2-3-9-21(17)26/h2-4,6-10,13-15H,5,11-12H2,1H3,(H,24,28).
What are the key properties of 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55581931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).