(E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide

C15H17N3O — CID 104619831

IUPAC(E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCC(C)c1cc(NC(=O)/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O/c1-11(2)13-10-14(18-17-13)16-15(19)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,16,17,18,19)/b9-8+
InChIKeyUWIVJGYHXIHVJS-CMDGGOBGSA-N
MW255.32 g/mol
LogP3.18
Rot. Bonds4

About (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide

(E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 104619831) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID104619831
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCC(C)c1cc(NC(=O)/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O/c1-11(2)13-10-14(18-17-13)16-15(19)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,16,17,18,19)/b9-8+
InChIKeyUWIVJGYHXIHVJS-CMDGGOBGSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.18
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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Related Compounds

(E)-3-(5-chlorothiophen-2-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619908
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619840
3-[3-(3-methylphenyl)prop-2-enoylamino]-1H-pyrazole-5-carboxylic acid
CID 78996490
(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
CID 118731079
1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 103720486
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 3439581
(E)-3-(4-ethylphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619640

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide (CID 104619831) is (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide is CC(C)c1cc(NC(=O)/C=C/c2ccccc2)n[nH]1.
What is the InChIKey of (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is UWIVJGYHXIHVJS-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(2)13-10-14(18-17-13)16-15(19)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,16,17,18,19)/b9-8+.
What are the key properties of (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide?
(E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 104619831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).