naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone

C17H16N2O — CID 62717590

IUPACnaphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C17H16N2O/c1-2-10-19-12-14(11-18-19)17(20)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,11-12H,2,10H2,1H3
InChIKeyCIQDDXMUGWIMGW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.68
Rot. Bonds4

About naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone

naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone (PubChem CID 62717590) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
PubChem CID62717590
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Namenaphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C17H16N2O/c1-2-10-19-12-14(11-18-19)17(20)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,11-12H,2,10H2,1H3
InChIKeyCIQDDXMUGWIMGW-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone
CID 63222879
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanone
CID 63976768
(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 81274285
(2-bromo-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanone
CID 114885302
(2-bromo-4-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963862
(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963861
(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone
CID 105083333
1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone
CID 105083264
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832
1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
CID 114964476

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone (CID 62717590) is naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)c2cccc3ccccc23)cn1.
What is the InChIKey of naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone?
The InChIKey is CIQDDXMUGWIMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-10-19-12-14(11-18-19)17(20)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,11-12H,2,10H2,1H3.
What are the key properties of naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone?
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 62717590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).