2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol

C13H17N3O — CID 106756242

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2cc(C)nn2C)ccn1
InChIInChI=1S/C13H17N3O/c1-9-6-11(4-5-14-9)13(17)8-12-7-10(2)15-16(12)3/h4-7,13,17H,8H2,1-3H3
InChIKeyDBCJUEZQKAQDNX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.71
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol

2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol (PubChem CID 106756242) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
PubChem CID106756242
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2cc(C)nn2C)ccn1
InChIInChI=1S/C13H17N3O/c1-9-6-11(4-5-14-9)13(17)8-12-7-10(2)15-16(12)3/h4-7,13,17H,8H2,1-3H3
InChIKeyDBCJUEZQKAQDNX-UHFFFAOYSA-N
XLogP1.71
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 106756246
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 106693816
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82730481
1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 106886253
2-(3-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756085
1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 106756289
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811557
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755498
1-(4-bromo-2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811446
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol
CID 114255634

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol (CID 106756242) is 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol is Cc1cc(C(O)Cc2cc(C)nn2C)ccn1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol?
The InChIKey is DBCJUEZQKAQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-6-11(4-5-14-9)13(17)8-12-7-10(2)15-16(12)3/h4-7,13,17H,8H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol?
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol is sourced from PubChem (CID 106756242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).