N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide

C20H26N4O — CID 47042483

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
SMILESCc1cc(C)n(CC(C)CNC(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H26N4O/c1-14(13-24-16(3)10-15(2)23-24)11-22-20(25)9-8-17-12-21-19-7-5-4-6-18(17)19/h4-7,10,12,14,21H,8-9,11,13H2,1-3H3,(H,22,25)
InChIKeyGAOSFKMNEDJXTQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.37
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 47042483) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
PubChem CID47042483
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
SMILESCc1cc(C)n(CC(C)CNC(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H26N4O/c1-14(13-24-16(3)10-15(2)23-24)11-22-20(25)9-8-17-12-21-19-7-5-4-6-18(17)19/h4-7,10,12,14,21H,8-9,11,13H2,1-3H3,(H,22,25)
InChIKeyGAOSFKMNEDJXTQ-UHFFFAOYSA-N
XLogP3.37
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide
CID 66109220
1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 3821483
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021
N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 64539569
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 94028959
3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604374
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19330998
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[3-(1H-indol-3-yl)propyl]-2-methylguanidine
CID 111753325
2-[[3-(1H-indol-3-yl)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243337

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide (CID 47042483) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide is Cc1cc(C)n(CC(C)CNC(=O)CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is GAOSFKMNEDJXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(13-24-16(3)10-15(2)23-24)11-22-20(25)9-8-17-12-21-19-7-5-4-6-18(17)19/h4-7,10,12,14,21H,8-9,11,13H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 47042483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).