N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide

C20H26N4O — CID 19462809

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCCn1cc(C(C)NC(=O)CCCc2c[nH]c3ccccc23)c(C)n1
InChIInChI=1S/C20H26N4O/c1-4-24-13-18(15(3)23-24)14(2)22-20(25)11-7-8-16-12-21-19-10-6-5-9-17(16)19/h5-6,9-10,12-14,21H,4,7-8,11H2,1-3H3,(H,22,25)
InChIKeyUCIADYUDXJULNW-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.89
Rot. Bonds7

About N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 19462809) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID19462809
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCCn1cc(C(C)NC(=O)CCCc2c[nH]c3ccccc23)c(C)n1
InChIInChI=1S/C20H26N4O/c1-4-24-13-18(15(3)23-24)14(2)22-20(25)11-7-8-16-12-21-19-10-6-5-9-17(16)19/h5-6,9-10,12-14,21H,4,7-8,11H2,1-3H3,(H,22,25)
InChIKeyUCIADYUDXJULNW-UHFFFAOYSA-N
XLogP3.89
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19331006
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 19468867
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]-N,4-dimethylpentanamide
CID 52632899
(2S,3R)-3-hydroxy-2-[4-(1H-indol-3-yl)butanoylamino]butanoate
CID 7678933
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-4-(1H-indol-3-yl)butanamide
CID 134699682

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide (CID 19462809) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide is CCn1cc(C(C)NC(=O)CCCc2c[nH]c3ccccc23)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is UCIADYUDXJULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-24-13-18(15(3)23-24)14(2)22-20(25)11-7-8-16-12-21-19-10-6-5-9-17(16)19/h5-6,9-10,12-14,21H,4,7-8,11H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 338.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 19462809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).