1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

C16H20N2O — CID 103130101

IUPAC1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCn1ccc(C(C)(O)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C16H20N2O/c1-16(19,15-9-10-18(2)17-15)14-8-7-12-5-3-4-6-13(12)11-14/h7-11,19H,3-6H2,1-2H3
InChIKeyXHHPGFYBRKDHFX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.55
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 103130101) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
PubChem CID103130101
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCn1ccc(C(C)(O)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C16H20N2O/c1-16(19,15-9-10-18(2)17-15)14-8-7-12-5-3-4-6-13(12)11-14/h7-11,19H,3-6H2,1-2H3
InChIKeyXHHPGFYBRKDHFX-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)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-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (CID 103130101) is 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is Cn1ccc(C(C)(O)c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is XHHPGFYBRKDHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(19,15-9-10-18(2)17-15)14-8-7-12-5-3-4-6-13(12)11-14/h7-11,19H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 256.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 103130101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).