1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone

C17H16N2O — CID 105083264

IUPAC1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone
SMILESCCn1cc(C(=O)Cc2cccc3ccccc23)cn1
InChIInChI=1S/C17H16N2O/c1-2-19-12-15(11-18-19)17(20)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,11-12H,2,10H2,1H3
InChIKeyAVYYHUGJKBAPPO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.48
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone

1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone (PubChem CID 105083264) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone
PubChem CID105083264
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone
SMILESCCn1cc(C(=O)Cc2cccc3ccccc23)cn1
InChIInChI=1S/C17H16N2O/c1-2-19-12-15(11-18-19)17(20)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,11-12H,2,10H2,1H3
InChIKeyAVYYHUGJKBAPPO-UHFFFAOYSA-N
XLogP3.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone (CID 105083264) is 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone is CCn1cc(C(=O)Cc2cccc3ccccc23)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone?
The InChIKey is AVYYHUGJKBAPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-19-12-15(11-18-19)17(20)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone?
1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone has a molecular weight of 264.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 105083264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).