1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol

C11H13ClN4O — CID 166894746

IUPAC1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1C(C)O
InChIInChI=1S/C11H13ClN4O/c1-6-11(8(3)17)7(2)16(15-6)10-4-9(12)13-5-14-10/h4-5,8,17H,1-3H3
InChIKeyYFZAGGCUUOBPPZ-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.99
Rot. Bonds2

About 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol

1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 166894746) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID166894746
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1C(C)O
InChIInChI=1S/C11H13ClN4O/c1-6-11(8(3)17)7(2)16(15-6)10-4-9(12)13-5-14-10/h4-5,8,17H,1-3H3
InChIKeyYFZAGGCUUOBPPZ-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol (CID 166894746) is 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol is Cc1nn(-c2cc(Cl)ncn2)c(C)c1C(C)O.
What is the InChIKey of 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is YFZAGGCUUOBPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6-11(8(3)17)7(2)16(15-6)10-4-9(12)13-5-14-10/h4-5,8,17H,1-3H3.
What are the key properties of 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 252.71 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 166894746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).