2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide

C8H11N3O — CID 15312519

IUPAC2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C8H11N3O/c1-5(2)8(12)9-7-4-6(3)10-11-7/h4H,1H2,2-3H3,(H2,9,10,11,12)
InChIKeyMUFRPQUMQXNSBV-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.23
Rot. Bonds2

About 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 15312519) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID15312519
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C8H11N3O/c1-5(2)8(12)9-7-4-6(3)10-11-7/h4H,1H2,2-3H3,(H2,9,10,11,12)
InChIKeyMUFRPQUMQXNSBV-UHFFFAOYSA-N
XLogP1.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.23
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 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (CID 15312519) is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is C=C(C)C(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is MUFRPQUMQXNSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5(2)8(12)9-7-4-6(3)10-11-7/h4H,1H2,2-3H3,(H2,9,10,11,12).
What are the key properties of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 165.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 15312519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).