[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol

C12H15ClN4O — CID 79823450

IUPAC[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol
SMILESCCc1nn(-c2cc(C)nc(C)n2)c(Cl)c1CO
InChIInChI=1S/C12H15ClN4O/c1-4-10-9(6-18)12(13)17(16-10)11-5-7(2)14-8(3)15-11/h5,18H,4,6H2,1-3H3
InChIKeyPVDOTEOSDFMJLE-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.99
Rot. Bonds3

About [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol

[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol (PubChem CID 79823450) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol
PubChem CID79823450
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol
SMILESCCc1nn(-c2cc(C)nc(C)n2)c(Cl)c1CO
InChIInChI=1S/C12H15ClN4O/c1-4-10-9(6-18)12(13)17(16-10)11-5-7(2)14-8(3)15-11/h5,18H,4,6H2,1-3H3
InChIKeyPVDOTEOSDFMJLE-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-Chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 43333612
[5-Chloro-1-(6-methylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 61965898
[5-Chloro-3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]methanol
CID 62891390
[5-Chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]methanol
CID 62891558
[5-Chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol
CID 79822146
[5-Chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 79823360
7-Amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-methanol
CID 58034379
(7-Amino-2-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol
CID 58034780
1-[6-Chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol
CID 132210824
[1-(6-Chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol
CID 134440618
(7-Chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methanol
CID 165133803
1-[1-(6-Chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 166894746

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol (CID 79823450) is [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol is CCc1nn(-c2cc(C)nc(C)n2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol?
The InChIKey is PVDOTEOSDFMJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-4-10-9(6-18)12(13)17(16-10)11-5-7(2)14-8(3)15-11/h5,18H,4,6H2,1-3H3.
What are the key properties of [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol?
[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol has a molecular weight of 266.73 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol is sourced from PubChem (CID 79823450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).