(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide

C11H16N4O2 — CID 39640766

IUPAC(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCN(C)C(=O)CNC(=O)/C=C/c1ccnn1C
InChIInChI=1S/C11H16N4O2/c1-14(2)11(17)8-12-10(16)5-4-9-6-7-13-15(9)3/h4-7H,8H2,1-3H3,(H,12,16)/b5-4+
InChIKeyBHCFCLUYDGLFQV-SNAWJCMRSA-N
MW236.28 g/mol
LogP-0.36
Rot. Bonds4

About (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide

(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 39640766) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID39640766
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCN(C)C(=O)CNC(=O)/C=C/c1ccnn1C
InChIInChI=1S/C11H16N4O2/c1-14(2)11(17)8-12-10(16)5-4-9-6-7-13-15(9)3/h4-7H,8H2,1-3H3,(H,12,16)/b5-4+
InChIKeyBHCFCLUYDGLFQV-SNAWJCMRSA-N
XLogP-0.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 39640766) is (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide is CN(C)C(=O)CNC(=O)/C=C/c1ccnn1C.
What is the InChIKey of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is BHCFCLUYDGLFQV-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14(2)11(17)8-12-10(16)5-4-9-6-7-13-15(9)3/h4-7H,8H2,1-3H3,(H,12,16)/b5-4+.
What are the key properties of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide?
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 236.28 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 39640766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).