[3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate

C10H11F3N2O2 — CID 174412758

IUPAC[3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate
SMILESO=COC(Cc1cn[nH]c1C1CC1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8(17-5-16)3-7-4-14-15-9(7)6-1-2-6/h4-6,8H,1-3H2,(H,14,15)
InChIKeyHULRSICRCXMWMY-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.93
Rot. Bonds5

About [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate

[3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate (PubChem CID 174412758) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate
PubChem CID174412758
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name[3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate
SMILESO=COC(Cc1cn[nH]c1C1CC1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8(17-5-16)3-7-4-14-15-9(7)6-1-2-6/h4-6,8H,1-3H2,(H,14,15)
InChIKeyHULRSICRCXMWMY-UHFFFAOYSA-N
XLogP1.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.93
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 [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate?
The IUPAC name of [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate (CID 174412758) is [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate.
What is the SMILES notation for [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate?
The canonical SMILES for [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate is O=COC(Cc1cn[nH]c1C1CC1)C(F)(F)F.
What is the InChIKey of [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate?
The InChIKey is HULRSICRCXMWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)8(17-5-16)3-7-4-14-15-9(7)6-1-2-6/h4-6,8H,1-3H2,(H,14,15).
What are the key properties of [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate?
[3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate has a molecular weight of 248.20 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-yl] formate is sourced from PubChem (CID 174412758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).