2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide

C12H19N5O2 — CID 86791829

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide
SMILESC=CCNC(=O)NC(=O)C(C)Nc1cnn(CC)c1
InChIInChI=1S/C12H19N5O2/c1-4-6-13-12(19)16-11(18)9(3)15-10-7-14-17(5-2)8-10/h4,7-9,15H,1,5-6H2,2-3H3,(H2,13,16,18,19)
InChIKeyWELAXSXAMFZJSJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.72
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide

2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide (PubChem CID 86791829) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide
PubChem CID86791829
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide
SMILESC=CCNC(=O)NC(=O)C(C)Nc1cnn(CC)c1
InChIInChI=1S/C12H19N5O2/c1-4-6-13-12(19)16-11(18)9(3)15-10-7-14-17(5-2)8-10/h4,7-9,15H,1,5-6H2,2-3H3,(H2,13,16,18,19)
InChIKeyWELAXSXAMFZJSJ-UHFFFAOYSA-N
XLogP0.72
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide
CID 75507073
N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285076
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
CID 115352400
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
N-(1-ethylpyrazol-4-yl)-3-methyl-2-sulfanylbutanamide
CID 107022932
2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
CID 47065396
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide
CID 86791911
N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79778444

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide (CID 86791829) is 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide is C=CCNC(=O)NC(=O)C(C)Nc1cnn(CC)c1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide?
The InChIKey is WELAXSXAMFZJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-6-13-12(19)16-11(18)9(3)15-10-7-14-17(5-2)8-10/h4,7-9,15H,1,5-6H2,2-3H3,(H2,13,16,18,19).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide?
2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide has a molecular weight of 265.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide is sourced from PubChem (CID 86791829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).