[2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol

C12H14N4O — CID 83184637

IUPAC[2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(-n2ccc(C3CC3)n2)ncc1CO
InChIInChI=1S/C12H14N4O/c1-8-10(7-17)6-13-12(14-8)16-5-4-11(15-16)9-2-3-9/h4-6,9,17H,2-3,7H2,1H3
InChIKeyZYWUSLCUCCTZLK-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.34
Rot. Bonds3

About [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol

[2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184637) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol
PubChem CID83184637
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name[2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(-n2ccc(C3CC3)n2)ncc1CO
InChIInChI=1S/C12H14N4O/c1-8-10(7-17)6-13-12(14-8)16-5-4-11(15-16)9-2-3-9/h4-6,9,17H,2-3,7H2,1H3
InChIKeyZYWUSLCUCCTZLK-UHFFFAOYSA-N
XLogP1.34
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol (CID 83184637) is [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol is Cc1nc(-n2ccc(C3CC3)n2)ncc1CO.
What is the InChIKey of [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is ZYWUSLCUCCTZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-10(7-17)6-13-12(14-8)16-5-4-11(15-16)9-2-3-9/h4-6,9,17H,2-3,7H2,1H3.
What are the key properties of [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol?
[2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 230.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).