N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide

C17H14FN3O — CID 20789107

IUPACN-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)C1CC1
InChIInChI=1S/C17H14FN3O/c18-12-5-3-10(4-6-12)16-14-9-13(7-8-15(14)20-21-16)19-17(22)11-1-2-11/h3-9,11H,1-2H2,(H,19,22)(H,20,21)
InChIKeyGVIQOELLHHGTTI-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.72
Rot. Bonds3

About N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide (PubChem CID 20789107) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide
PubChem CID20789107
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)C1CC1
InChIInChI=1S/C17H14FN3O/c18-12-5-3-10(4-6-12)16-14-9-13(7-8-15(14)20-21-16)19-17(22)11-1-2-11/h3-9,11H,1-2H2,(H,19,22)(H,20,21)
InChIKeyGVIQOELLHHGTTI-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide (CID 20789107) is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide is O=C(Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)C1CC1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide?
The InChIKey is GVIQOELLHHGTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-12-5-3-10(4-6-12)16-14-9-13(7-8-15(14)20-21-16)19-17(22)11-1-2-11/h3-9,11H,1-2H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide?
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 20789107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).