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

C15H18ClN3O — CID 56731681

IUPACN-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide
SMILESO=C(NCCCn1ncc2c(Cl)cccc21)C1CCC1
InChIInChI=1S/C15H18ClN3O/c16-13-6-2-7-14-12(13)10-18-19(14)9-3-8-17-15(20)11-4-1-5-11/h2,6-7,10-11H,1,3-5,8-9H2,(H,17,20)
InChIKeyQIRGQVSOUMIDTG-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.00
Rot. Bonds5

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

N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide (PubChem CID 56731681) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide
PubChem CID56731681
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide
SMILESO=C(NCCCn1ncc2c(Cl)cccc21)C1CCC1
InChIInChI=1S/C15H18ClN3O/c16-13-6-2-7-14-12(13)10-18-19(14)9-3-8-17-15(20)11-4-1-5-11/h2,6-7,10-11H,1,3-5,8-9H2,(H,17,20)
InChIKeyQIRGQVSOUMIDTG-UHFFFAOYSA-N
XLogP3.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide (CID 56731681) is N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide is O=C(NCCCn1ncc2c(Cl)cccc21)C1CCC1.
What is the InChIKey of N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide?
The InChIKey is QIRGQVSOUMIDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-6-2-7-14-12(13)10-18-19(14)9-3-8-17-15(20)11-4-1-5-11/h2,6-7,10-11H,1,3-5,8-9H2,(H,17,20).
What are the key properties of N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide?
N-[3-(4-chloroindazol-1-yl)propyl]cyclobutanecarboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.00, 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]cyclobutanecarboxamide is sourced from PubChem (CID 56731681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).