N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide

C19H18FN3O2 — CID 87827336

IUPACN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide
SMILESO=CN(CC1CCCO1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C19H18FN3O2/c20-14-5-3-13(4-6-14)19-17-10-15(7-8-18(17)21-22-19)23(12-24)11-16-2-1-9-25-16/h3-8,10,12,16H,1-2,9,11H2,(H,21,22)
InChIKeyQTPHSDLITOMVPS-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.51
Rot. Bonds5

About N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide (PubChem CID 87827336) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide
PubChem CID87827336
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide
SMILESO=CN(CC1CCCO1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C19H18FN3O2/c20-14-5-3-13(4-6-14)19-17-10-15(7-8-18(17)21-22-19)23(12-24)11-16-2-1-9-25-16/h3-8,10,12,16H,1-2,9,11H2,(H,21,22)
InChIKeyQTPHSDLITOMVPS-UHFFFAOYSA-N
XLogP3.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide (CID 87827336) is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide is O=CN(CC1CCCO1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide?
The InChIKey is QTPHSDLITOMVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-5-3-13(4-6-14)19-17-10-15(7-8-18(17)21-22-19)23(12-24)11-16-2-1-9-25-16/h3-8,10,12,16H,1-2,9,11H2,(H,21,22).
What are the key properties of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide?
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide has a molecular weight of 339.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide is sourced from PubChem (CID 87827336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).