N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide

C10H15N3O — CID 78920031

IUPACN-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
SMILESCC=CC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C10H15N3O/c1-4-5-10(14)12-9-6-11-13(7-9)8(2)3/h4-8H,1-3H3,(H,12,14)
InChIKeyUZKFBLCWRBFRSK-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.98
Rot. Bonds3

About N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide

N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide (PubChem CID 78920031) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
PubChem CID78920031
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
SMILESCC=CC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C10H15N3O/c1-4-5-10(14)12-9-6-11-13(7-9)8(2)3/h4-8H,1-3H3,(H,12,14)
InChIKeyUZKFBLCWRBFRSK-UHFFFAOYSA-N
XLogP1.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.98
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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Related Compounds

2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62904276
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62903409
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide (CID 78920031) is N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide is CC=CC(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide?
The InChIKey is UZKFBLCWRBFRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-5-10(14)12-9-6-11-13(7-9)8(2)3/h4-8H,1-3H3,(H,12,14).
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide?
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide is sourced from PubChem (CID 78920031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).