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

C15H18N2O — CID 39095863

IUPAC[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
SMILESCn1cc(CO)c(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H18N2O/c1-17-9-14(10-18)15(16-17)13-7-6-11-4-2-3-5-12(11)8-13/h6-9,18H,2-5,10H2,1H3
InChIKeyCFLDQMPAALRMLJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.46
Rot. Bonds2

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

[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol (PubChem CID 39095863) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
PubChem CID39095863
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
SMILESCn1cc(CO)c(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H18N2O/c1-17-9-14(10-18)15(16-17)13-7-6-11-4-2-3-5-12(11)8-13/h6-9,18H,2-5,10H2,1H3
InChIKeyCFLDQMPAALRMLJ-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol?
The IUPAC name of [1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol (CID 39095863) is [1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol is Cn1cc(CO)c(-c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of [1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol?
The InChIKey is CFLDQMPAALRMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-9-14(10-18)15(16-17)13-7-6-11-4-2-3-5-12(11)8-13/h6-9,18H,2-5,10H2,1H3.
What are the key properties of [1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol?
[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol has a molecular weight of 242.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 39095863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).