N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide

C25H28N4O — CID 19337848

IUPACN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
SMILESCc1ccc(Cn2nc(C)c(NC(=O)CCCc3c[nH]c4ccccc34)c2C)cc1
InChIInChI=1S/C25H28N4O/c1-17-11-13-20(14-12-17)16-29-19(3)25(18(2)28-29)27-24(30)10-6-7-21-15-26-23-9-5-4-8-22(21)23/h4-5,8-9,11-15,26H,6-7,10,16H2,1-3H3,(H,27,30)
InChIKeyUXVYGHOGIRGREG-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.30
Rot. Bonds7

About N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide (PubChem CID 19337848) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
PubChem CID19337848
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
SMILESCc1ccc(Cn2nc(C)c(NC(=O)CCCc3c[nH]c4ccccc34)c2C)cc1
InChIInChI=1S/C25H28N4O/c1-17-11-13-20(14-12-17)16-29-19(3)25(18(2)28-29)27-24(30)10-6-7-21-15-26-23-9-5-4-8-22(21)23/h4-5,8-9,11-15,26H,6-7,10,16H2,1-3H3,(H,27,30)
InChIKeyUXVYGHOGIRGREG-UHFFFAOYSA-N
XLogP5.30
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1-propylpyrazol-4-yl)-4-(1H-indol-3-yl)butanamide
CID 134699682
4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide
CID 19284482
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50977958
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
CID 19330007
6-(1,3-dioxoisoindol-2-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]hexanamide
CID 19409660
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
CID 19285296
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-(1H-indol-3-yl)butanamide
CID 19325911
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide (CID 19337848) is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide is Cc1ccc(Cn2nc(C)c(NC(=O)CCCc3c[nH]c4ccccc34)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is UXVYGHOGIRGREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-17-11-13-20(14-12-17)16-29-19(3)25(18(2)28-29)27-24(30)10-6-7-21-15-26-23-9-5-4-8-22(21)23/h4-5,8-9,11-15,26H,6-7,10,16H2,1-3H3,(H,27,30).
What are the key properties of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide?
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 400.53 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 19337848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).