4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide

C23H24N4O — CID 19284482

IUPAC4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide
SMILESCc1ccc(Cn2ccc(NC(=O)CCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C23H24N4O/c1-17-9-11-18(12-10-17)16-27-14-13-22(26-27)25-23(28)8-4-5-19-15-24-21-7-3-2-6-20(19)21/h2-3,6-7,9-15,24H,4-5,8,16H2,1H3,(H,25,26,28)
InChIKeyIPMZCIPVGFZRTP-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.68
Rot. Bonds7

About 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide

4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide (PubChem CID 19284482) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide
PubChem CID19284482
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide
SMILESCc1ccc(Cn2ccc(NC(=O)CCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C23H24N4O/c1-17-9-11-18(12-10-17)16-27-14-13-22(26-27)25-23(28)8-4-5-19-15-24-21-7-3-2-6-20(19)21/h2-3,6-7,9-15,24H,4-5,8,16H2,1H3,(H,25,26,28)
InChIKeyIPMZCIPVGFZRTP-UHFFFAOYSA-N
XLogP4.68
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
CID 19285296
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 19337848
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19406963
N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19331006
N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 126421675
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-4-(1H-indol-3-yl)butanamide
CID 134699682
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19407183

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide (CID 19284482) is 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide is Cc1ccc(Cn2ccc(NC(=O)CCCc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide?
The InChIKey is IPMZCIPVGFZRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-9-11-18(12-10-17)16-27-14-13-22(26-27)25-23(28)8-4-5-19-15-24-21-7-3-2-6-20(19)21/h2-3,6-7,9-15,24H,4-5,8,16H2,1H3,(H,25,26,28).
What are the key properties of 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide?
4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide has a molecular weight of 372.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 19284482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).