[1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate

C15H17FN2O2 — CID 174604071

IUPAC[1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate
SMILESCC(C)c1cc(CC(OC=O)c2cccc(F)c2)[nH]n1
InChIInChI=1S/C15H17FN2O2/c1-10(2)14-7-13(17-18-14)8-15(20-9-19)11-4-3-5-12(16)6-11/h3-7,9-10,15H,8H2,1-2H3,(H,17,18)
InChIKeyVYEFWNYNJUEGGZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.13
Rot. Bonds6

About [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate

[1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate (PubChem CID 174604071) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate
PubChem CID174604071
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name[1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate
SMILESCC(C)c1cc(CC(OC=O)c2cccc(F)c2)[nH]n1
InChIInChI=1S/C15H17FN2O2/c1-10(2)14-7-13(17-18-14)8-15(20-9-19)11-4-3-5-12(16)6-11/h3-7,9-10,15H,8H2,1-2H3,(H,17,18)
InChIKeyVYEFWNYNJUEGGZ-UHFFFAOYSA-N
XLogP3.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
CID 81174511
3-(2-(Benzyloxy)ethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 10778433
3-(3,4-Difluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 59345322
5-[2-(Benzyloxy)ethyl]-3-(4-fluorophenyl)-1H-pyrazole
CID 67439036
3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)-1H-pyrazole
CID 89595534
5-(2-bromo-5-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 134462681
[1-(3-amino-1H-pyrazol-5-yl)-3-(2-fluorophenyl)propan-2-yl] formate
CID 174385472
[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl] formate
CID 174563657
[1-phenyl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl] formate
CID 174567446
[1-(4-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate
CID 174578429
[1-(3-fluorophenyl)-2-(1H-pyrazol-5-yl)ethyl] formate
CID 174593600
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethyl formate
CID 174597981

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate?
The IUPAC name of [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate (CID 174604071) is [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate.
What is the SMILES notation for [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate?
The canonical SMILES for [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate is CC(C)c1cc(CC(OC=O)c2cccc(F)c2)[nH]n1.
What is the InChIKey of [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate?
The InChIKey is VYEFWNYNJUEGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10(2)14-7-13(17-18-14)8-15(20-9-19)11-4-3-5-12(16)6-11/h3-7,9-10,15H,8H2,1-2H3,(H,17,18).
What are the key properties of [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate?
[1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate has a molecular weight of 276.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate is sourced from PubChem (CID 174604071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).