[3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol

C10H6F6N4O — CID 138630782

IUPAC[3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol
SMILESOCc1cn(-c2cnc(C(F)(F)F)nc2)nc1C(F)(F)F
InChIInChI=1S/C10H6F6N4O/c11-9(12,13)7-5(4-21)3-20(19-7)6-1-17-8(18-2-6)10(14,15)16/h1-3,21H,4H2
InChIKeyRAHRSNYCYFHNLV-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.19
Rot. Bonds2

About [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol

[3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol (PubChem CID 138630782) has the molecular formula C10H6F6N4O and a molecular weight of 312.17 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol
PubChem CID138630782
Molecular FormulaC10H6F6N4O
Molecular Weight312.17 g/mol
Exact Mass312.04
IUPAC Name[3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol
SMILESOCc1cn(-c2cnc(C(F)(F)F)nc2)nc1C(F)(F)F
InChIInChI=1S/C10H6F6N4O/c11-9(12,13)7-5(4-21)3-20(19-7)6-1-17-8(18-2-6)10(14,15)16/h1-3,21H,4H2
InChIKeyRAHRSNYCYFHNLV-UHFFFAOYSA-N
XLogP2.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol (CID 138630782) is [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol is OCc1cn(-c2cnc(C(F)(F)F)nc2)nc1C(F)(F)F.
What is the InChIKey of [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol?
The InChIKey is RAHRSNYCYFHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N4O/c11-9(12,13)7-5(4-21)3-20(19-7)6-1-17-8(18-2-6)10(14,15)16/h1-3,21H,4H2.
What are the key properties of [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol?
[3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol has a molecular weight of 312.17 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol is sourced from PubChem (CID 138630782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).