N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide

C13H12FN3O — CID 167980675

IUPACN-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1n[nH]c2cccc(F)c12)C1CC=CC1
InChIInChI=1S/C13H12FN3O/c14-9-6-3-7-10-11(9)12(17-16-10)15-13(18)8-4-1-2-5-8/h1-3,6-8H,4-5H2,(H2,15,16,17,18)
InChIKeyHMKGFNLOUXYQTP-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.61
Rot. Bonds2

About N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide

N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide (PubChem CID 167980675) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide
PubChem CID167980675
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1n[nH]c2cccc(F)c12)C1CC=CC1
InChIInChI=1S/C13H12FN3O/c14-9-6-3-7-10-11(9)12(17-16-10)15-13(18)8-4-1-2-5-8/h1-3,6-8H,4-5H2,(H2,15,16,17,18)
InChIKeyHMKGFNLOUXYQTP-UHFFFAOYSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-1H-indazol-3-yl)cyclopropanecarboxamide
CID 110470290
N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119304839
2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide
CID 110470956
N-(4-fluoro-1H-indazol-3-yl)but-2-enamide
CID 171141234
phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate
CID 110472442
N-(4-fluoro-1H-indazol-3-yl)pyrazine-2-carboxamide
CID 51102709
N-(4-fluoro-1H-indazol-3-yl)-3-methylfuran-2-carboxamide
CID 51102710
2-(cyclopent-3-ene-1-carbonylamino)-6-fluorobenzoic acid
CID 64767259
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 47090311
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 71827888
(3R)-N-(3-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754399

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide (CID 167980675) is N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide is O=C(Nc1n[nH]c2cccc(F)c12)C1CC=CC1.
What is the InChIKey of N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide?
The InChIKey is HMKGFNLOUXYQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-9-6-3-7-10-11(9)12(17-16-10)15-13(18)8-4-1-2-5-8/h1-3,6-8H,4-5H2,(H2,15,16,17,18).
What are the key properties of N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide?
N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 167980675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).