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

C10H9F3N4O — CID 83184382

IUPAC[4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol
SMILESCc1nc(-n2ccc(C(F)(F)F)n2)ncc1CO
InChIInChI=1S/C10H9F3N4O/c1-6-7(5-18)4-14-9(15-6)17-3-2-8(16-17)10(11,12)13/h2-4,18H,5H2,1H3
InChIKeyNHHCRLJFTPJQSD-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.48
Rot. Bonds2

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

[4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol (PubChem CID 83184382) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is [4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol
PubChem CID83184382
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name[4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol
SMILESCc1nc(-n2ccc(C(F)(F)F)n2)ncc1CO
InChIInChI=1S/C10H9F3N4O/c1-6-7(5-18)4-14-9(15-6)17-3-2-8(16-17)10(11,12)13/h2-4,18H,5H2,1H3
InChIKeyNHHCRLJFTPJQSD-UHFFFAOYSA-N
XLogP1.48
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol (CID 83184382) is [4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol is Cc1nc(-n2ccc(C(F)(F)F)n2)ncc1CO.
What is the InChIKey of [4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol?
The InChIKey is NHHCRLJFTPJQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-6-7(5-18)4-14-9(15-6)17-3-2-8(16-17)10(11,12)13/h2-4,18H,5H2,1H3.
What are the key properties of [4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol?
[4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol has a molecular weight of 258.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).