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

C17H16N2O — CID 105083330

IUPAC1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone
SMILESCCn1cc(C(=O)Cc2ccc3ccccc3c2)cn1
InChIInChI=1S/C17H16N2O/c1-2-19-12-16(11-18-19)17(20)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,2,10H2,1H3
InChIKeyRFHPOUIMQFDVPO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.48
Rot. Bonds4

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

1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone (PubChem CID 105083330) 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-2-ylethanone.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone
PubChem CID105083330
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone
SMILESCCn1cc(C(=O)Cc2ccc3ccccc3c2)cn1
InChIInChI=1S/C17H16N2O/c1-2-19-12-16(11-18-19)17(20)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,2,10H2,1H3
InChIKeyRFHPOUIMQFDVPO-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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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone
CID 105083264
1-(6-bromonaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965347
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62797724
[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 24790219
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-1-one
CID 63891496
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one
CID 116549892
(E)-1-(1-ethylpyrazol-4-yl)-3-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]prop-2-en-1-one
CID 19543398
1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 62126241

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone (CID 105083330) is 1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone is CCn1cc(C(=O)Cc2ccc3ccccc3c2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone?
The InChIKey is RFHPOUIMQFDVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-19-12-16(11-18-19)17(20)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone?
1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-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-2-ylethanone is sourced from PubChem (CID 105083330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).