(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide

C8H11N3O — CID 60714255

IUPAC(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCNC(=O)/C=C/c1cnn(C)c1
InChIInChI=1S/C8H11N3O/c1-9-8(12)4-3-7-5-10-11(2)6-7/h3-6H,1-2H3,(H,9,12)/b4-3+
InChIKeyKZWCJFAYFRMYFP-ONEGZZNKSA-N
MW165.20 g/mol
LogP0.18
Rot. Bonds2

About (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide

(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 60714255) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID60714255
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCNC(=O)/C=C/c1cnn(C)c1
InChIInChI=1S/C8H11N3O/c1-9-8(12)4-3-7-5-10-11(2)6-7/h3-6H,1-2H3,(H,9,12)/b4-3+
InChIKeyKZWCJFAYFRMYFP-ONEGZZNKSA-N
XLogP0.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.18
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 (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 60714255) is (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide is CNC(=O)/C=C/c1cnn(C)c1.
What is the InChIKey of (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is KZWCJFAYFRMYFP-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11N3O/c1-9-8(12)4-3-7-5-10-11(2)6-7/h3-6H,1-2H3,(H,9,12)/b4-3+.
What are the key properties of (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 165.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 60714255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).