1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol

C13H17N3O2 — CID 82870030

IUPAC1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ccn(C)n2)cn1
InChIInChI=1S/C13H17N3O2/c1-16-6-5-11(15-16)8-12(17)7-10-3-4-13(18-2)14-9-10/h3-6,9,12,17H,7-8H2,1-2H3
InChIKeyRNKDGZOIBJVEMO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.97
Rot. Bonds5

About 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol

1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol (PubChem CID 82870030) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol
PubChem CID82870030
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ccn(C)n2)cn1
InChIInChI=1S/C13H17N3O2/c1-16-6-5-11(15-16)8-12(17)7-10-3-4-13(18-2)14-9-10/h3-6,9,12,17H,7-8H2,1-2H3
InChIKeyRNKDGZOIBJVEMO-UHFFFAOYSA-N
XLogP0.97
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131183
1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 82869029
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
CID 106266545
4-cyclopentyl-1-(6-methoxy-3-pyridinyl)butan-2-ol
CID 114192018
1-(1-methylpyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 82869603
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869244
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114644859
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
2-(5-ethyl-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937798

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol (CID 82870030) is 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol is COc1ccc(CC(O)Cc2ccn(C)n2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol?
The InChIKey is RNKDGZOIBJVEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-6-5-11(15-16)8-12(17)7-10-3-4-13(18-2)14-9-10/h3-6,9,12,17H,7-8H2,1-2H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol?
1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 82870030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).