[4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol

C12H16N4O — CID 83184725

IUPAC[4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol
SMILESCc1nc(-n2ccc(C(C)C)n2)ncc1CO
InChIInChI=1S/C12H16N4O/c1-8(2)11-4-5-16(15-11)12-13-6-10(7-17)9(3)14-12/h4-6,8,17H,7H2,1-3H3
InChIKeyJSPDWPRQCDJWFR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.59
Rot. Bonds3

About [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol

[4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol (PubChem CID 83184725) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol
PubChem CID83184725
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol
SMILESCc1nc(-n2ccc(C(C)C)n2)ncc1CO
InChIInChI=1S/C12H16N4O/c1-8(2)11-4-5-16(15-11)12-13-6-10(7-17)9(3)14-12/h4-6,8,17H,7H2,1-3H3
InChIKeyJSPDWPRQCDJWFR-UHFFFAOYSA-N
XLogP1.59
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol (CID 83184725) is [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol is Cc1nc(-n2ccc(C(C)C)n2)ncc1CO.
What is the InChIKey of [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol?
The InChIKey is JSPDWPRQCDJWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)11-4-5-16(15-11)12-13-6-10(7-17)9(3)14-12/h4-6,8,17H,7H2,1-3H3.
What are the key properties of [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol?
[4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol has a molecular weight of 232.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).