[3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

C12H12F3N3O2 — CID 66777665

IUPAC[3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2cc(C(F)(F)F)ccn2)cc1CO
InChIInChI=1S/C12H12F3N3O2/c1-20-7-10-8(6-19)5-18(17-10)11-4-9(2-3-16-11)12(13,14)15/h2-5,19H,6-7H2,1H3
InChIKeyOBGKYZGGSQOWAA-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.92
Rot. Bonds4

About [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

[3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (PubChem CID 66777665) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
PubChem CID66777665
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name[3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2cc(C(F)(F)F)ccn2)cc1CO
InChIInChI=1S/C12H12F3N3O2/c1-20-7-10-8(6-19)5-18(17-10)11-4-9(2-3-16-11)12(13,14)15/h2-5,19H,6-7H2,1H3
InChIKeyOBGKYZGGSQOWAA-UHFFFAOYSA-N
XLogP1.92
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The IUPAC name of [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (CID 66777665) is [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is COCc1nn(-c2cc(C(F)(F)F)ccn2)cc1CO.
What is the InChIKey of [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The InChIKey is OBGKYZGGSQOWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-20-7-10-8(6-19)5-18(17-10)11-4-9(2-3-16-11)12(13,14)15/h2-5,19H,6-7H2,1H3.
What are the key properties of [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
[3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol has a molecular weight of 287.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66777665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).