N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide

C10H15N3O — CID 166419383

IUPACN-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nn(C(C)C)cc1C
InChIInChI=1S/C10H15N3O/c1-5-9(14)11-10-8(4)6-13(12-10)7(2)3/h5-7H,1H2,2-4H3,(H,11,12,14)
InChIKeyCAEBFCJFYQVHKI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.90
Rot. Bonds3

About N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide

N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide (PubChem CID 166419383) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide
PubChem CID166419383
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nn(C(C)C)cc1C
InChIInChI=1S/C10H15N3O/c1-5-9(14)11-10-8(4)6-13(12-10)7(2)3/h5-7H,1H2,2-4H3,(H,11,12,14)
InChIKeyCAEBFCJFYQVHKI-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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

N-(4-iodo-1-propan-2-ylpyrazol-3-yl)-3-methylbut-2-enamide
CID 166374412
N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide
CID 174370599
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 144607430
3,4-dimethyl-1-propan-2-ylpyrazole;ethane
CID 144607335
3-bromo-4-methyl-1-propan-2-ylpyrazole
CID 130138856
CID 156709466
CID 156709466
N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide
CID 177272489
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 60810295
N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
CID 43616283
N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide
CID 151343471

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide (CID 166419383) is N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide is C=CC(=O)Nc1nn(C(C)C)cc1C.
What is the InChIKey of N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide?
The InChIKey is CAEBFCJFYQVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-5-9(14)11-10-8(4)6-13(12-10)7(2)3/h5-7H,1H2,2-4H3,(H,11,12,14).
What are the key properties of N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide?
N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 166419383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).