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

C10H11ClN4O — CID 134440618

IUPAC[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1CO
InChIInChI=1S/C10H11ClN4O/c1-6-8(4-16)7(2)15(14-6)10-3-9(11)12-5-13-10/h3,5,16H,4H2,1-2H3
InChIKeySNWIZRPKBGBVSI-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.42
Rot. Bonds2

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

[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol (PubChem CID 134440618) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is [1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol
PubChem CID134440618
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1CO
InChIInChI=1S/C10H11ClN4O/c1-6-8(4-16)7(2)15(14-6)10-3-9(11)12-5-13-10/h3,5,16H,4H2,1-2H3
InChIKeySNWIZRPKBGBVSI-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol (CID 134440618) is [1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol is Cc1nn(-c2cc(Cl)ncn2)c(C)c1CO.
What is the InChIKey of [1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol?
The InChIKey is SNWIZRPKBGBVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-8(4-16)7(2)15(14-6)10-3-9(11)12-5-13-10/h3,5,16H,4H2,1-2H3.
What are the key properties of [1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol?
[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol has a molecular weight of 238.68 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 134440618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).