3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol

C12H16N4O — CID 103008459

IUPAC3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
SMILESCc1cnc(C(O)CCc2ccnn2C)nc1
InChIInChI=1S/C12H16N4O/c1-9-7-13-12(14-8-9)11(17)4-3-10-5-6-15-16(10)2/h5-8,11,17H,3-4H2,1-2H3
InChIKeyHZCJNVGDTHUJEE-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.18
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol

3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol (PubChem CID 103008459) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
PubChem CID103008459
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
SMILESCc1cnc(C(O)CCc2ccnn2C)nc1
InChIInChI=1S/C12H16N4O/c1-9-7-13-12(14-8-9)11(17)4-3-10-5-6-15-16(10)2/h5-8,11,17H,3-4H2,1-2H3
InChIKeyHZCJNVGDTHUJEE-UHFFFAOYSA-N
XLogP1.18
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 103008060
1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 114033904
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006837
1-(2-methoxy-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 106790862
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030528

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol (CID 103008459) is 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol is Cc1cnc(C(O)CCc2ccnn2C)nc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol?
The InChIKey is HZCJNVGDTHUJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-7-13-12(14-8-9)11(17)4-3-10-5-6-15-16(10)2/h5-8,11,17H,3-4H2,1-2H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol?
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol is sourced from PubChem (CID 103008459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).