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

C9H6ClF3N4O — CID 43531891

IUPAC[5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)nn(-c2ncccn2)c1Cl
InChIInChI=1S/C9H6ClF3N4O/c10-7-5(4-18)6(9(11,12)13)16-17(7)8-14-2-1-3-15-8/h1-3,18H,4H2
InChIKeyAGWDKCUVPMMUEZ-UHFFFAOYSA-N
MW278.62 g/mol
LogP1.83
Rot. Bonds2

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

[5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 43531891) has the molecular formula C9H6ClF3N4O and a molecular weight of 278.62 g/mol. Its IUPAC name is [5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID43531891
Molecular FormulaC9H6ClF3N4O
Molecular Weight278.62 g/mol
Exact Mass278.02
IUPAC Name[5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)nn(-c2ncccn2)c1Cl
InChIInChI=1S/C9H6ClF3N4O/c10-7-5(4-18)6(9(11,12)13)16-17(7)8-14-2-1-3-15-8/h1-3,18H,4H2
InChIKeyAGWDKCUVPMMUEZ-UHFFFAOYSA-N
XLogP1.83
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 43531891) is [5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1c(C(F)(F)F)nn(-c2ncccn2)c1Cl.
What is the InChIKey of [5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is AGWDKCUVPMMUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4O/c10-7-5(4-18)6(9(11,12)13)16-17(7)8-14-2-1-3-15-8/h1-3,18H,4H2.
What are the key properties of [5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 278.62 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 43531891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).