[1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol

C9H11F3N2O — CID 68959700

IUPAC[1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESC/C=C/c1c(CO)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H11F3N2O/c1-3-4-7-6(5-15)8(9(10,11)12)13-14(7)2/h3-4,15H,5H2,1-2H3/b4-3+
InChIKeyFPZMCRBTFHXGQE-ONEGZZNKSA-N
MW220.19 g/mol
LogP1.96
Rot. Bonds2

About [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol

[1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 68959700) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID68959700
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name[1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESC/C=C/c1c(CO)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H11F3N2O/c1-3-4-7-6(5-15)8(9(10,11)12)13-14(7)2/h3-4,15H,5H2,1-2H3/b4-3+
InChIKeyFPZMCRBTFHXGQE-ONEGZZNKSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 68959700) is [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol is C/C=C/c1c(CO)c(C(F)(F)F)nn1C.
What is the InChIKey of [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is FPZMCRBTFHXGQE-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-3-4-7-6(5-15)8(9(10,11)12)13-14(7)2/h3-4,15H,5H2,1-2H3/b4-3+.
What are the key properties of [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 220.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 68959700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).