2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide

C18H21ClN4O — CID 75372870

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide
SMILESCn1cc(CCCCNC(=O)Cc2c[nH]c3ccc(Cl)cc23)cn1
InChIInChI=1S/C18H21ClN4O/c1-23-12-13(10-22-23)4-2-3-7-20-18(24)8-14-11-21-17-6-5-15(19)9-16(14)17/h5-6,9-12,21H,2-4,7-8H2,1H3,(H,20,24)
InChIKeyHIAVLQLZZVPWBI-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.24
Rot. Bonds7

About 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide

2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide (PubChem CID 75372870) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide
PubChem CID75372870
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide
SMILESCn1cc(CCCCNC(=O)Cc2c[nH]c3ccc(Cl)cc23)cn1
InChIInChI=1S/C18H21ClN4O/c1-23-12-13(10-22-23)4-2-3-7-20-18(24)8-14-11-21-17-6-5-15(19)9-16(14)17/h5-6,9-12,21H,2-4,7-8H2,1H3,(H,20,24)
InChIKeyHIAVLQLZZVPWBI-UHFFFAOYSA-N
XLogP3.24
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810
2-(1-methylpyrazol-4-yl)-N-nonylacetamide
CID 60616599
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide (CID 75372870) is 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide is Cn1cc(CCCCNC(=O)Cc2c[nH]c3ccc(Cl)cc23)cn1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide?
The InChIKey is HIAVLQLZZVPWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-23-12-13(10-22-23)4-2-3-7-20-18(24)8-14-11-21-17-6-5-15(19)9-16(14)17/h5-6,9-12,21H,2-4,7-8H2,1H3,(H,20,24).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide?
2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide has a molecular weight of 344.85 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide is sourced from PubChem (CID 75372870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).