3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol

C13H17N3O — CID 103008060

IUPAC3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
SMILESCc1cccnc1C(O)CCc1ccnn1C
InChIInChI=1S/C13H17N3O/c1-10-4-3-8-14-13(10)12(17)6-5-11-7-9-15-16(11)2/h3-4,7-9,12,17H,5-6H2,1-2H3
InChIKeyHUOJKRQRUXDQBU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.79
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol

3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol (PubChem CID 103008060) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
PubChem CID103008060
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
SMILESCc1cccnc1C(O)CCc1ccnn1C
InChIInChI=1S/C13H17N3O/c1-10-4-3-8-14-13(10)12(17)6-5-11-7-9-15-16(11)2/h3-4,7-9,12,17H,5-6H2,1-2H3
InChIKeyHUOJKRQRUXDQBU-UHFFFAOYSA-N
XLogP1.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
3-methoxy-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 114997246
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-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol
CID 103006025
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006706
3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 103027965
CID 155748395
CID 155748395
(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
CID 155163970

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol (CID 103008060) is 3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol is Cc1cccnc1C(O)CCc1ccnn1C.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol?
The InChIKey is HUOJKRQRUXDQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-4-3-8-14-13(10)12(17)6-5-11-7-9-15-16(11)2/h3-4,7-9,12,17H,5-6H2,1-2H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol?
3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.79, 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-(3-methyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 103008060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).