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

C9H7F3N4O — CID 168867297

IUPAC[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)6-3-14-16(4-6)8-1-2-13-7(5-17)15-8/h1-4,17H,5H2
InChIKeyBSQDQQIRRTWBRY-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.17
Rot. Bonds2

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

[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol (PubChem CID 168867297) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol
PubChem CID168867297
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)6-3-14-16(4-6)8-1-2-13-7(5-17)15-8/h1-4,17H,5H2
InChIKeyBSQDQQIRRTWBRY-UHFFFAOYSA-N
XLogP1.17
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

((1,2,4)Triazolo(1,5-a)pyrimidin-2-yl)methanol
CID 58764064
2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoromethyl)pyrimidine
CID 90775494
2-[(6-Pyrazol-1-ylpyrimidin-4-yl)amino]ethanol
CID 2218330
Triazolyl PD 7a
CID 171378292
2-[2-Hydroxyethyl-[4-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethanol
CID 172449507
2-[Ethyl-[4-(1,2,4-triazol-1-yl)pyrimidin-2-yl]amino]ethanol
CID 172458893
2-[Methyl-[4-(1,2,4-triazol-1-yl)pyrimidin-2-yl]amino]ethanol
CID 172468127
2-chloro-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidine
CID 39869160
3-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 45790726
4-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 69436881
1,1-Difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol
CID 71143812
1,3-Difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol
CID 71143814

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol (CID 168867297) is [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol is OCc1nccc(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol?
The InChIKey is BSQDQQIRRTWBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c10-9(11,12)6-3-14-16(4-6)8-1-2-13-7(5-17)15-8/h1-4,17H,5H2.
What are the key properties of [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol?
[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol has a molecular weight of 244.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 168867297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).