1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol

C17H17N3O — CID 72890659

IUPAC1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol
SMILESCc1ccc(-c2cccc(C(C)O)n2)c(-n2cccn2)c1
InChIInChI=1S/C17H17N3O/c1-12-7-8-14(17(11-12)20-10-4-9-18-20)16-6-3-5-15(19-16)13(2)21/h3-11,13,21H,1-2H3
InChIKeyDTSZSAQVIGNTTN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.30
Rot. Bonds3

About 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol

1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol (PubChem CID 72890659) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol
PubChem CID72890659
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol
SMILESCc1ccc(-c2cccc(C(C)O)n2)c(-n2cccn2)c1
InChIInChI=1S/C17H17N3O/c1-12-7-8-14(17(11-12)20-10-4-9-18-20)16-6-3-5-15(19-16)13(2)21/h3-11,13,21H,1-2H3
InChIKeyDTSZSAQVIGNTTN-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol?
The IUPAC name of 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol (CID 72890659) is 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol is Cc1ccc(-c2cccc(C(C)O)n2)c(-n2cccn2)c1.
What is the InChIKey of 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol?
The InChIKey is DTSZSAQVIGNTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-8-14(17(11-12)20-10-4-9-18-20)16-6-3-5-15(19-16)13(2)21/h3-11,13,21H,1-2H3.
What are the key properties of 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol?
1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol has a molecular weight of 279.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 72890659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).