(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one

C11H16N2O — CID 103970874

IUPAC(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)c1c(C)nn(C)c1C
InChIInChI=1S/C11H16N2O/c1-7(6-8(2)14)11-9(3)12-13(5)10(11)4/h6H,1-5H3/b7-6-
InChIKeyAALFJRYHCLDWLB-SREVYHEPSA-N
MW192.26 g/mol
LogP2.03
Rot. Bonds2

About (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one

(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one (PubChem CID 103970874) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one
PubChem CID103970874
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)c1c(C)nn(C)c1C
InChIInChI=1S/C11H16N2O/c1-7(6-8(2)14)11-9(3)12-13(5)10(11)4/h6H,1-5H3/b7-6-
InChIKeyAALFJRYHCLDWLB-SREVYHEPSA-N
XLogP2.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.03
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)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid
CID 112721875
(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-ol
CID 103971270
ethyl 5-(1,3,5-trimethylpyrazol-4-yl)hexa-2,4-dienoate
CID 114193780
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
(E)-3-(1,3,5-trimethylpyrazol-4-yl)hex-2-enoic acid
CID 112721876
4-[(1E)-1-fluorobuta-1,3-dienyl]-1,3,5-trimethylpyrazole
CID 143740724
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-1-one
CID 105104374
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
CID 105091756
(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222403
(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 121184183
(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222399
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 19567474

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one?
The IUPAC name of (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one (CID 103970874) is (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one is CC(=O)/C=C(/C)c1c(C)nn(C)c1C.
What is the InChIKey of (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one?
The InChIKey is AALFJRYHCLDWLB-SREVYHEPSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(6-8(2)14)11-9(3)12-13(5)10(11)4/h6H,1-5H3/b7-6-.
What are the key properties of (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one?
(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one is sourced from PubChem (CID 103970874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).