(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone

C17H16N2O — CID 102811693

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone
SMILESCCc1nn(C)cc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H16N2O/c1-3-16-15(11-19(2)18-16)17(20)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,3H2,1-2H3
InChIKeyVPCSQHMPMRTORW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.37
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone

(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone (PubChem CID 102811693) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone
PubChem CID102811693
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone
SMILESCCc1nn(C)cc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H16N2O/c1-3-16-15(11-19(2)18-16)17(20)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,3H2,1-2H3
InChIKeyVPCSQHMPMRTORW-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811856
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 102811630
(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 102811706
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 102810659
1-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propane-1,3-dione
CID 102810662
(3-ethyl-1-methylpyrazol-4-yl)-(5-methylthiophen-3-yl)methanone
CID 102811750
1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811827
dinaphthalen-2-ylmethanone
CID 10945915
naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
CID 63976981
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(3-methylphenyl)propane-1,3-dione
CID 102810675
1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 43324436

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone (CID 102811693) is (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone is CCc1nn(C)cc1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone?
The InChIKey is VPCSQHMPMRTORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-16-15(11-19(2)18-16)17(20)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,3H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone?
(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone has a molecular weight of 264.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 102811693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).