(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one

C10H14N2O2 — CID 103454159

IUPAC(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
SMILESCC/C=C/C(=O)c1c(OC)cnn1C
InChIInChI=1S/C10H14N2O2/c1-4-5-6-8(13)10-9(14-3)7-11-12(10)2/h5-7H,4H2,1-3H3/b6-5+
InChIKeyTXMXGTRYOVTYBE-AATRIKPKSA-N
MW194.23 g/mol
LogP1.58
Rot. Bonds4

About (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one

(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one (PubChem CID 103454159) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
PubChem CID103454159
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
SMILESCC/C=C/C(=O)c1c(OC)cnn1C
InChIInChI=1S/C10H14N2O2/c1-4-5-6-8(13)10-9(14-3)7-11-12(10)2/h5-7H,4H2,1-3H3/b6-5+
InChIKeyTXMXGTRYOVTYBE-AATRIKPKSA-N
XLogP1.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.58
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

(E)-3-(4-aminophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)prop-2-en-1-one
CID 114670921
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497
3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
CID 114641301
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one
CID 114670977
2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114668516
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one (CID 103454159) is (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one is CC/C=C/C(=O)c1c(OC)cnn1C.
What is the InChIKey of (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one?
The InChIKey is TXMXGTRYOVTYBE-AATRIKPKSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-5-6-8(13)10-9(14-3)7-11-12(10)2/h5-7H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one?
(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one is sourced from PubChem (CID 103454159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).