(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one

C19H18N2O — CID 17022390

IUPAC(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCCn1ncc(/C=C/C(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C19H18N2O/c1-3-21-14(2)18(13-20-21)10-11-19(22)17-9-8-15-6-4-5-7-16(15)12-17/h4-13H,3H2,1-2H3/b11-10+
InChIKeyMNUYTXZTQGZPCT-ZHACJKMWSA-N
MW290.37 g/mol
LogP4.26
Rot. Bonds4

About (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 17022390) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID17022390
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCCn1ncc(/C=C/C(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C19H18N2O/c1-3-21-14(2)18(13-20-21)10-11-19(22)17-9-8-15-6-4-5-7-16(15)12-17/h4-13H,3H2,1-2H3/b11-10+
InChIKeyMNUYTXZTQGZPCT-ZHACJKMWSA-N
XLogP4.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1,5-dimethylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 17023046
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 19560591
3-[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]chromen-2-one
CID 53491228
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561011
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
(E)-3-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 19560733
(E)-1-naphthalen-2-ylhex-2-en-1-one
CID 22625485
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 45257570

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one (CID 17022390) is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one is CCn1ncc(/C=C/C(=O)c2ccc3ccccc3c2)c1C.
What is the InChIKey of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is MNUYTXZTQGZPCT-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-21-14(2)18(13-20-21)10-11-19(22)17-9-8-15-6-4-5-7-16(15)12-17/h4-13H,3H2,1-2H3/b11-10+.
What are the key properties of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 290.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 17022390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).