(E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide

C9H13N3O2 — CID 60753499

IUPAC(E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCON(C)C(=O)/C=C/c1ccnn1C
InChIInChI=1S/C9H13N3O2/c1-11-8(6-7-10-11)4-5-9(13)12(2)14-3/h4-7H,1-3H3/b5-4+
InChIKeyUWTZBEQZPMSCHJ-SNAWJCMRSA-N
MW195.22 g/mol
LogP0.45
Rot. Bonds3

About (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide

(E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 60753499) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID60753499
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCON(C)C(=O)/C=C/c1ccnn1C
InChIInChI=1S/C9H13N3O2/c1-11-8(6-7-10-11)4-5-9(13)12(2)14-3/h4-7H,1-3H3/b5-4+
InChIKeyUWTZBEQZPMSCHJ-SNAWJCMRSA-N
XLogP0.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 60753499) is (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide is CON(C)C(=O)/C=C/c1ccnn1C.
What is the InChIKey of (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is UWTZBEQZPMSCHJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-8(6-7-10-11)4-5-9(13)12(2)14-3/h4-7H,1-3H3/b5-4+.
What are the key properties of (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide?
(E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 195.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N-methyl-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 60753499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).