3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide

C31H30N4O — CID 155968063

IUPAC3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)Nc3cc(-c4ccc5c(c4)CCCC5)nn3-c3ccccc3)c2c1
InChIInChI=1S/C31H30N4O/c1-21-11-15-28-27(17-21)25(20-32-28)14-16-31(36)33-30-19-29(34-35(30)26-9-3-2-4-10-26)24-13-12-22-7-5-6-8-23(22)18-24/h2-4,9-13,15,17-20,32H,5-8,14,16H2,1H3,(H,33,36)
InChIKeyLQZZCPJIKVEZAP-UHFFFAOYSA-N
MW474.61 g/mol
LogP6.78
Rot. Bonds6

About 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide

3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide (PubChem CID 155968063) has the molecular formula C31H30N4O and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide
PubChem CID155968063
Molecular FormulaC31H30N4O
Molecular Weight474.61 g/mol
Exact Mass474.24
IUPAC Name3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)Nc3cc(-c4ccc5c(c4)CCCC5)nn3-c3ccccc3)c2c1
InChIInChI=1S/C31H30N4O/c1-21-11-15-28-27(17-21)25(20-32-28)14-16-31(36)33-30-19-29(34-35(30)26-9-3-2-4-10-26)24-13-12-22-7-5-6-8-23(22)18-24/h2-4,9-13,15,17-20,32H,5-8,14,16H2,1H3,(H,33,36)
InChIKeyLQZZCPJIKVEZAP-UHFFFAOYSA-N
XLogP6.78
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]acetamide
CID 112805945
N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 26921680
1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 47089990
(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 41188599
N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
CID 5131615
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 167831441
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8893423
N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
CID 4543622
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-(4-hydroxycyclohexyl)-3-(5-methyl-1H-indol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide?
The IUPAC name of 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide (CID 155968063) is 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide?
The canonical SMILES for 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide is Cc1ccc2[nH]cc(CCC(=O)Nc3cc(-c4ccc5c(c4)CCCC5)nn3-c3ccccc3)c2c1.
What is the InChIKey of 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide?
The InChIKey is LQZZCPJIKVEZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O/c1-21-11-15-28-27(17-21)25(20-32-28)14-16-31(36)33-30-19-29(34-35(30)26-9-3-2-4-10-26)24-13-12-22-7-5-6-8-23(22)18-24/h2-4,9-13,15,17-20,32H,5-8,14,16H2,1H3,(H,33,36).
What are the key properties of 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide?
3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 474.61 g/mol, XLogP of 6.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 155968063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).