3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol

C12H15N3O — CID 103005969

IUPAC3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
SMILESCn1nccc1CCC(O)c1ccncc1
InChIInChI=1S/C12H15N3O/c1-15-11(6-9-14-15)2-3-12(16)10-4-7-13-8-5-10/h4-9,12,16H,2-3H2,1H3
InChIKeyDHMVHPPUWNRQBD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.48
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol

3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol (PubChem CID 103005969) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
PubChem CID103005969
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
SMILESCn1nccc1CCC(O)c1ccncc1
InChIInChI=1S/C12H15N3O/c1-15-11(6-9-14-15)2-3-12(16)10-4-7-13-8-5-10/h4-9,12,16H,2-3H2,1H3
InChIKeyDHMVHPPUWNRQBD-UHFFFAOYSA-N
XLogP1.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006837
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol
CID 103028007
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006160
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
3-(2-methylpyrazol-3-yl)-1-pyrimidin-5-ylpropan-1-amine
CID 103030546
1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 114033904

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol (CID 103005969) is 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol is Cn1nccc1CCC(O)c1ccncc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol?
The InChIKey is DHMVHPPUWNRQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-11(6-9-14-15)2-3-12(16)10-4-7-13-8-5-10/h4-9,12,16H,2-3H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol?
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 103005969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).