(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide

C17H21N3O — CID 104619965

IUPAC(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C17H21N3O/c1-12-5-7-13(8-6-12)9-10-16(21)18-15-11-14(19-20-15)17(2,3)4/h5-11H,1-4H3,(H2,18,19,20,21)/b10-9+
InChIKeyLVVVTWNEMOPLDV-MDZDMXLPSA-N
MW283.38 g/mol
LogP3.67
Rot. Bonds3

About (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 104619965) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID104619965
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C17H21N3O/c1-12-5-7-13(8-6-12)9-10-16(21)18-15-11-14(19-20-15)17(2,3)4/h5-11H,1-4H3,(H2,18,19,20,21)/b10-9+
InChIKeyLVVVTWNEMOPLDV-MDZDMXLPSA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.67
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)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 104619972
4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobut-2-enoic acid
CID 70475368
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
(E)-3-(4-ethylphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619640
(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 104619659
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
CID 896291
3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952320
(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 2426610
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
(E)-3-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 896549

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide (CID 104619965) is (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1.
What is the InChIKey of (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is LVVVTWNEMOPLDV-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-7-13(8-6-12)9-10-16(21)18-15-11-14(19-20-15)17(2,3)4/h5-11H,1-4H3,(H2,18,19,20,21)/b10-9+.
What are the key properties of (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 283.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 104619965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).