[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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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).