N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide

C9H13N3O — CID 166406892

IUPACN-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1c(CC)cnn1C
InChIInChI=1S/C9H13N3O/c1-4-7-6-10-12(3)9(7)11-8(13)5-2/h5-6H,2,4H2,1,3H3,(H,11,13)
InChIKeyMCJNWQGAIAKECP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.11
Rot. Bonds3

About N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide

N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide (PubChem CID 166406892) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide
PubChem CID166406892
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1c(CC)cnn1C
InChIInChI=1S/C9H13N3O/c1-4-7-6-10-12(3)9(7)11-8(13)5-2/h5-6H,2,4H2,1,3H3,(H,11,13)
InChIKeyMCJNWQGAIAKECP-UHFFFAOYSA-N
XLogP1.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.11
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 N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide?
The IUPAC name of N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide (CID 166406892) is N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide.
What is the SMILES notation for N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide?
The canonical SMILES for N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide is C=CC(=O)Nc1c(CC)cnn1C.
What is the InChIKey of N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide?
The InChIKey is MCJNWQGAIAKECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-7-6-10-12(3)9(7)11-8(13)5-2/h5-6H,2,4H2,1,3H3,(H,11,13).
What are the key properties of N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide?
N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide has a molecular weight of 179.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 166406892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).