1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C13H18N4O — CID 115527999

IUPAC1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCc1nccc(C(O)Cc2ccn(C(C)C)n2)n1
InChIInChI=1S/C13H18N4O/c1-9(2)17-7-5-11(16-17)8-13(18)12-4-6-14-10(3)15-12/h4-7,9,13,18H,8H2,1-3H3
InChIKeyRBFJNJTWGYILMC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.84
Rot. Bonds4

About 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 115527999) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID115527999
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCc1nccc(C(O)Cc2ccn(C(C)C)n2)n1
InChIInChI=1S/C13H18N4O/c1-9(2)17-7-5-11(16-17)8-13(18)12-4-6-14-10(3)15-12/h4-7,9,13,18H,8H2,1-3H3
InChIKeyRBFJNJTWGYILMC-UHFFFAOYSA-N
XLogP1.84
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 114220139
1-(3-methyl-2-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771004
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530162
1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115528070
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
3-hydroxy-3-(2-methylpyrimidin-4-yl)propanal
CID 114795373
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105103448
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
CID 82408295
2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol
CID 115529993
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 115527999) is 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is Cc1nccc(C(O)Cc2ccn(C(C)C)n2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is RBFJNJTWGYILMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)17-7-5-11(16-17)8-13(18)12-4-6-14-10(3)15-12/h4-7,9,13,18H,8H2,1-3H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115527999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).