4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol

C16H16N2O — CID 171396888

IUPAC4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol
SMILESCC(C)n1cc(-c2ccc(O)c3ccccc23)cn1
InChIInChI=1S/C16H16N2O/c1-11(2)18-10-12(9-17-18)13-7-8-16(19)15-6-4-3-5-14(13)15/h3-11,19H,1-2H3
InChIKeyAMHUNQDQUCNNJF-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.99
Rot. Bonds2

About 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol

4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol (PubChem CID 171396888) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol
PubChem CID171396888
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol
SMILESCC(C)n1cc(-c2ccc(O)c3ccccc23)cn1
InChIInChI=1S/C16H16N2O/c1-11(2)18-10-12(9-17-18)13-7-8-16(19)15-6-4-3-5-14(13)15/h3-11,19H,1-2H3
InChIKeyAMHUNQDQUCNNJF-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol?
The IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol (CID 171396888) is 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol.
What is the SMILES notation for 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol?
The canonical SMILES for 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol is CC(C)n1cc(-c2ccc(O)c3ccccc23)cn1.
What is the InChIKey of 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol?
The InChIKey is AMHUNQDQUCNNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11(2)18-10-12(9-17-18)13-7-8-16(19)15-6-4-3-5-14(13)15/h3-11,19H,1-2H3.
What are the key properties of 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol?
4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol has a molecular weight of 252.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol is sourced from PubChem (CID 171396888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).