1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol

C10H11ClN4O — CID 86698986

IUPAC1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2ccnc(Cl)n2)cc1C(C)O
InChIInChI=1S/C10H11ClN4O/c1-6-8(7(2)16)5-15(14-6)9-3-4-12-10(11)13-9/h3-5,7,16H,1-2H3
InChIKeyFISAILSAPQBTLK-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.68
Rot. Bonds2

About 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol

1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol (PubChem CID 86698986) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol
PubChem CID86698986
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2ccnc(Cl)n2)cc1C(C)O
InChIInChI=1S/C10H11ClN4O/c1-6-8(7(2)16)5-15(14-6)9-3-4-12-10(11)13-9/h3-5,7,16H,1-2H3
InChIKeyFISAILSAPQBTLK-UHFFFAOYSA-N
XLogP1.68
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol (CID 86698986) is 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol is Cc1nn(-c2ccnc(Cl)n2)cc1C(C)O.
What is the InChIKey of 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol?
The InChIKey is FISAILSAPQBTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-8(7(2)16)5-15(14-6)9-3-4-12-10(11)13-9/h3-5,7,16H,1-2H3.
What are the key properties of 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol?
1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol has a molecular weight of 238.68 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloropyrimidin-4-yl)-3-methylpyrazol-4-yl]ethanol is sourced from PubChem (CID 86698986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).