6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane

C18H24FN3O — CID 145274731

IUPAC6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane
SMILESCC1CCC1.Nc1n[nH]c2cc(OCC3C=CCC3)cc(F)c12
InChIInChI=1S/C13H14FN3O.C5H10/c14-10-5-9(18-7-8-3-1-2-4-8)6-11-12(10)13(15)17-16-11;1-5-3-2-4-5/h1,3,5-6,8H,2,4,7H2,(H3,15,16,17);5H,2-4H2,1H3
InChIKeyXCZOCAZJXSUIME-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.44
Rot. Bonds3

About 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane

6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane (PubChem CID 145274731) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane.

Molecular Properties

Compound Name6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane
PubChem CID145274731
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane
SMILESCC1CCC1.Nc1n[nH]c2cc(OCC3C=CCC3)cc(F)c12
InChIInChI=1S/C13H14FN3O.C5H10/c14-10-5-9(18-7-8-3-1-2-4-8)6-11-12(10)13(15)17-16-11;1-5-3-2-4-5/h1,3,5-6,8H,2,4,7H2,(H3,15,16,17);5H,2-4H2,1H3
InChIKeyXCZOCAZJXSUIME-UHFFFAOYSA-N
XLogP4.44
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane?
The IUPAC name of 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane (CID 145274731) is 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane.
What is the SMILES notation for 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane?
The canonical SMILES for 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane is CC1CCC1.Nc1n[nH]c2cc(OCC3C=CCC3)cc(F)c12.
What is the InChIKey of 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane?
The InChIKey is XCZOCAZJXSUIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O.C5H10/c14-10-5-9(18-7-8-3-1-2-4-8)6-11-12(10)13(15)17-16-11;1-5-3-2-4-5/h1,3,5-6,8H,2,4,7H2,(H3,15,16,17);5H,2-4H2,1H3.
What are the key properties of 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane?
6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane has a molecular weight of 317.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane is sourced from PubChem (CID 145274731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).