2-(1H-pyrazol-4-yl)prop-2-enamide

C6H7N3O — CID 90190695

IUPAC2-(1H-pyrazol-4-yl)prop-2-enamide
SMILESC=C(C(N)=O)c1cn[nH]c1
InChIInChI=1S/C6H7N3O/c1-4(6(7)10)5-2-8-9-3-5/h2-3H,1H2,(H2,7,10)(H,8,9)
InChIKeyOAGNXKSOWJWFCK-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.09
Rot. Bonds2

About 2-(1H-pyrazol-4-yl)prop-2-enamide

2-(1H-pyrazol-4-yl)prop-2-enamide (PubChem CID 90190695) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)prop-2-enamide
PubChem CID90190695
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2-(1H-pyrazol-4-yl)prop-2-enamide
SMILESC=C(C(N)=O)c1cn[nH]c1
InChIInChI=1S/C6H7N3O/c1-4(6(7)10)5-2-8-9-3-5/h2-3H,1H2,(H2,7,10)(H,8,9)
InChIKeyOAGNXKSOWJWFCK-UHFFFAOYSA-N
XLogP-0.09
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.09
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-(1H-pyrazol-4-yl)prop-2-enamide?
The IUPAC name of 2-(1H-pyrazol-4-yl)prop-2-enamide (CID 90190695) is 2-(1H-pyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)prop-2-enamide?
The canonical SMILES for 2-(1H-pyrazol-4-yl)prop-2-enamide is C=C(C(N)=O)c1cn[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)prop-2-enamide?
The InChIKey is OAGNXKSOWJWFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-4(6(7)10)5-2-8-9-3-5/h2-3H,1H2,(H2,7,10)(H,8,9).
What are the key properties of 2-(1H-pyrazol-4-yl)prop-2-enamide?
2-(1H-pyrazol-4-yl)prop-2-enamide has a molecular weight of 137.14 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 90190695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).