(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide

C9H13N3O — CID 43430674

IUPAC(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H13N3O/c1-3-4-7(2)9(13)12-8-5-10-11-6-8/h4-6H,3H2,1-2H3,(H,10,11)(H,12,13)/b7-4+
InChIKeyOASHMWOCZHWZNK-QPJJXVBHSA-N
MW179.22 g/mol
LogP1.70
Rot. Bonds3

About (E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide

(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide (PubChem CID 43430674) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide
PubChem CID43430674
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H13N3O/c1-3-4-7(2)9(13)12-8-5-10-11-6-8/h4-6H,3H2,1-2H3,(H,10,11)(H,12,13)/b7-4+
InChIKeyOASHMWOCZHWZNK-QPJJXVBHSA-N
XLogP1.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide?
The IUPAC name of (E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide (CID 43430674) is (E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide?
The canonical SMILES for (E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide is CC/C=C(\C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of (E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide?
The InChIKey is OASHMWOCZHWZNK-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-4-7(2)9(13)12-8-5-10-11-6-8/h4-6H,3H2,1-2H3,(H,10,11)(H,12,13)/b7-4+.
What are the key properties of (E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide?
(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide has a molecular weight of 179.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide is sourced from PubChem (CID 43430674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).