3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one

C10H15N3O — CID 42573729

IUPAC3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
SMILESCCn1cc(C(=O)C=CN(C)C)cn1
InChIInChI=1S/C10H15N3O/c1-4-13-8-9(7-11-13)10(14)5-6-12(2)3/h5-8H,4H2,1-3H3
InChIKeyGHLDTSBRZPTUIQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.16
Rot. Bonds4

About 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one

3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one (PubChem CID 42573729) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
PubChem CID42573729
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
SMILESCCn1cc(C(=O)C=CN(C)C)cn1
InChIInChI=1S/C10H15N3O/c1-4-13-8-9(7-11-13)10(14)5-6-12(2)3/h5-8H,4H2,1-3H3
InChIKeyGHLDTSBRZPTUIQ-UHFFFAOYSA-N
XLogP1.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-(1-ethylpyrazol-4-yl)-3-oxoprop-1-en-1-olate
CID 76951433
(E)-3-(4-ethylphenyl)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 19543580
(E)-3-(4-bromo-1-methylpyrazol-5-yl)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 19543525
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
(E)-3-(4-bromothiophen-2-yl)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 19543518
(E)-1-(1-ethylpyrazol-4-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 47436248
(E)-4-(1-ethylpyrazol-4-yl)pent-3-en-2-one
CID 103970881
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998
2-ethyl-1-(1-ethylpyrazol-4-yl)but-2-en-1-one
CID 103447372
(E)-3-(1-ethylpyrazol-4-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19584527
(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)-3-(dimethylamino)prop-2-en-1-one
CID 17024621
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one (CID 42573729) is 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one is CCn1cc(C(=O)C=CN(C)C)cn1.
What is the InChIKey of 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one?
The InChIKey is GHLDTSBRZPTUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-13-8-9(7-11-13)10(14)5-6-12(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one?
3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 42573729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).