4-naphthalen-1-yl-5-propoxy-1H-pyrazole

C16H16N2O — CID 91596558

IUPAC4-naphthalen-1-yl-5-propoxy-1H-pyrazole
SMILESCCCOc1[nH]ncc1-c1cccc2ccccc12
InChIInChI=1S/C16H16N2O/c1-2-10-19-16-15(11-17-18-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyBUTBPDIJCXGZPZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.02
Rot. Bonds4

About 4-naphthalen-1-yl-5-propoxy-1H-pyrazole

4-naphthalen-1-yl-5-propoxy-1H-pyrazole (PubChem CID 91596558) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-naphthalen-1-yl-5-propoxy-1H-pyrazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-5-propoxy-1H-pyrazole
PubChem CID91596558
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-naphthalen-1-yl-5-propoxy-1H-pyrazole
SMILESCCCOc1[nH]ncc1-c1cccc2ccccc12
InChIInChI=1S/C16H16N2O/c1-2-10-19-16-15(11-17-18-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyBUTBPDIJCXGZPZ-UHFFFAOYSA-N
XLogP4.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-5-propoxy-1H-pyrazole?
The IUPAC name of 4-naphthalen-1-yl-5-propoxy-1H-pyrazole (CID 91596558) is 4-naphthalen-1-yl-5-propoxy-1H-pyrazole.
What is the SMILES notation for 4-naphthalen-1-yl-5-propoxy-1H-pyrazole?
The canonical SMILES for 4-naphthalen-1-yl-5-propoxy-1H-pyrazole is CCCOc1[nH]ncc1-c1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-yl-5-propoxy-1H-pyrazole?
The InChIKey is BUTBPDIJCXGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-10-19-16-15(11-17-18-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,2,10H2,1H3,(H,17,18).
What are the key properties of 4-naphthalen-1-yl-5-propoxy-1H-pyrazole?
4-naphthalen-1-yl-5-propoxy-1H-pyrazole has a molecular weight of 252.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-5-propoxy-1H-pyrazole is sourced from PubChem (CID 91596558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).