[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol

C20H20N2O — CID 20542793

IUPAC[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H20N2O/c23-14-18-13-22(19-8-2-1-3-9-19)21-20(18)17-11-10-15-6-4-5-7-16(15)12-17/h1-3,8-13,23H,4-7,14H2
InChIKeyHEUZCARSTLJDHG-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.91
Rot. Bonds3

About [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol

[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol (PubChem CID 20542793) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
PubChem CID20542793
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H20N2O/c23-14-18-13-22(19-8-2-1-3-9-19)21-20(18)17-11-10-15-6-4-5-7-16(15)12-17/h1-3,8-13,23H,4-7,14H2
InChIKeyHEUZCARSTLJDHG-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
CID 39095863
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol
CID 1474502
[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 7245329
2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
CID 20542687
(Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 1481863
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 26331039
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 4995785
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
4-[4-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid
CID 155813475
2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
CID 11004574
2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
CID 71688046

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol?
The IUPAC name of [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol (CID 20542793) is [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol is OCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol?
The InChIKey is HEUZCARSTLJDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-14-18-13-22(19-8-2-1-3-9-19)21-20(18)17-11-10-15-6-4-5-7-16(15)12-17/h1-3,8-13,23H,4-7,14H2.
What are the key properties of [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol?
[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol has a molecular weight of 304.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 20542793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).