4-(1-butylpyrazol-4-yl)naphthalen-1-ol

C17H18N2O — CID 171396893

IUPAC4-(1-butylpyrazol-4-yl)naphthalen-1-ol
SMILESCCCCn1cc(-c2ccc(O)c3ccccc23)cn1
InChIInChI=1S/C17H18N2O/c1-2-3-10-19-12-13(11-18-19)14-8-9-17(20)16-7-5-4-6-15(14)16/h4-9,11-12,20H,2-3,10H2,1H3
InChIKeyXDDWIJSDSKAQEB-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.21
Rot. Bonds4

About 4-(1-butylpyrazol-4-yl)naphthalen-1-ol

4-(1-butylpyrazol-4-yl)naphthalen-1-ol (PubChem CID 171396893) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(1-butylpyrazol-4-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(1-butylpyrazol-4-yl)naphthalen-1-ol
PubChem CID171396893
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(1-butylpyrazol-4-yl)naphthalen-1-ol
SMILESCCCCn1cc(-c2ccc(O)c3ccccc23)cn1
InChIInChI=1S/C17H18N2O/c1-2-3-10-19-12-13(11-18-19)14-8-9-17(20)16-7-5-4-6-15(14)16/h4-9,11-12,20H,2-3,10H2,1H3
InChIKeyXDDWIJSDSKAQEB-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpyrazol-4-yl)naphthalen-1-ol?
The IUPAC name of 4-(1-butylpyrazol-4-yl)naphthalen-1-ol (CID 171396893) is 4-(1-butylpyrazol-4-yl)naphthalen-1-ol.
What is the SMILES notation for 4-(1-butylpyrazol-4-yl)naphthalen-1-ol?
The canonical SMILES for 4-(1-butylpyrazol-4-yl)naphthalen-1-ol is CCCCn1cc(-c2ccc(O)c3ccccc23)cn1.
What is the InChIKey of 4-(1-butylpyrazol-4-yl)naphthalen-1-ol?
The InChIKey is XDDWIJSDSKAQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-3-10-19-12-13(11-18-19)14-8-9-17(20)16-7-5-4-6-15(14)16/h4-9,11-12,20H,2-3,10H2,1H3.
What are the key properties of 4-(1-butylpyrazol-4-yl)naphthalen-1-ol?
4-(1-butylpyrazol-4-yl)naphthalen-1-ol has a molecular weight of 266.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpyrazol-4-yl)naphthalen-1-ol is sourced from PubChem (CID 171396893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).