N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide

C16H20ClN3O — CID 56731683

IUPACN-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCCn1ncc2c(Cl)cccc21)C1CCCC1
InChIInChI=1S/C16H20ClN3O/c17-14-7-3-8-15-13(14)11-19-20(15)10-4-9-18-16(21)12-5-1-2-6-12/h3,7-8,11-12H,1-2,4-6,9-10H2,(H,18,21)
InChIKeyKACOCWJVEBCOSM-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.39
Rot. Bonds5

About N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide

N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide (PubChem CID 56731683) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide
PubChem CID56731683
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCCn1ncc2c(Cl)cccc21)C1CCCC1
InChIInChI=1S/C16H20ClN3O/c17-14-7-3-8-15-13(14)11-19-20(15)10-4-9-18-16(21)12-5-1-2-6-12/h3,7-8,11-12H,1-2,4-6,9-10H2,(H,18,21)
InChIKeyKACOCWJVEBCOSM-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 56731656
N-[3-(4-chloroindazol-1-yl)propyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91956075
2-(4-chloroindazol-1-yl)-N-cyclopentylacetamide
CID 22510062
N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide
CID 91959219
N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 72845118
(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 97118781
1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
CID 91952225
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 56686289
2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 6625503
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
1-[3-(cyclopentylamino)propyl]cinnolin-4-one
CID 62566372

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide (CID 56731683) is N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide is O=C(NCCCn1ncc2c(Cl)cccc21)C1CCCC1.
What is the InChIKey of N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide?
The InChIKey is KACOCWJVEBCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-14-7-3-8-15-13(14)11-19-20(15)10-4-9-18-16(21)12-5-1-2-6-12/h3,7-8,11-12H,1-2,4-6,9-10H2,(H,18,21).
What are the key properties of N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide?
N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 56731683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).