(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol

C17H16F4N4O2 — CID 164718617

IUPAC(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCCn1cc(C(O)c2cc(C(F)(F)F)nn2-c2ccc(F)cc2CO)cn1
InChIInChI=1S/C17H16F4N4O2/c1-2-24-8-11(7-22-24)16(27)14-6-15(17(19,20)21)23-25(14)13-4-3-12(18)5-10(13)9-26/h3-8,16,26-27H,2,9H2,1H3
InChIKeyVAEJKJJMNGNRPR-UHFFFAOYSA-N
MW384.33 g/mol
LogP2.82
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol

(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol (PubChem CID 164718617) has the molecular formula C17H16F4N4O2 and a molecular weight of 384.33 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol
PubChem CID164718617
Molecular FormulaC17H16F4N4O2
Molecular Weight384.33 g/mol
Exact Mass384.12
IUPAC Name(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCCn1cc(C(O)c2cc(C(F)(F)F)nn2-c2ccc(F)cc2CO)cn1
InChIInChI=1S/C17H16F4N4O2/c1-2-24-8-11(7-22-24)16(27)14-6-15(17(19,20)21)23-25(14)13-4-3-12(18)5-10(13)9-26/h3-8,16,26-27H,2,9H2,1H3
InChIKeyVAEJKJJMNGNRPR-UHFFFAOYSA-N
XLogP2.82
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The IUPAC name of (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol (CID 164718617) is (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol is CCn1cc(C(O)c2cc(C(F)(F)F)nn2-c2ccc(F)cc2CO)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The InChIKey is VAEJKJJMNGNRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O2/c1-2-24-8-11(7-22-24)16(27)14-6-15(17(19,20)21)23-25(14)13-4-3-12(18)5-10(13)9-26/h3-8,16,26-27H,2,9H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol?
(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol has a molecular weight of 384.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 164718617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).