(Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one

C10H15N3O — CID 141243311

IUPAC(Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one
SMILESCC(=O)/C(=C\N(C)C)c1cc(C)[nH]n1
InChIInChI=1S/C10H15N3O/c1-7-5-10(12-11-7)9(8(2)14)6-13(3)4/h5-6H,1-4H3,(H,11,12)/b9-6+
InChIKeyICOFVPFFTCPJPS-RMKNXTFCSA-N
MW193.25 g/mol
LogP1.21
Rot. Bonds3

About (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one

(Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one (PubChem CID 141243311) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one
PubChem CID141243311
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one
SMILESCC(=O)/C(=C\N(C)C)c1cc(C)[nH]n1
InChIInChI=1S/C10H15N3O/c1-7-5-10(12-11-7)9(8(2)14)6-13(3)4/h5-6H,1-4H3,(H,11,12)/b9-6+
InChIKeyICOFVPFFTCPJPS-RMKNXTFCSA-N
XLogP1.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one?
The IUPAC name of (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one (CID 141243311) is (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one.
What is the SMILES notation for (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one?
The canonical SMILES for (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one is CC(=O)/C(=C\N(C)C)c1cc(C)[nH]n1.
What is the InChIKey of (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one?
The InChIKey is ICOFVPFFTCPJPS-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-5-10(12-11-7)9(8(2)14)6-13(3)4/h5-6H,1-4H3,(H,11,12)/b9-6+.
What are the key properties of (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one?
(Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one is sourced from PubChem (CID 141243311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).