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

C15H19N3OS — CID 104619972

IUPAC(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(C(C)(C)C)[nH]n2)s1
InChIInChI=1S/C15H19N3OS/c1-10-5-6-11(20-10)7-8-14(19)16-13-9-12(17-18-13)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18,19)/b8-7+
InChIKeyAETMVAWOWLKCFG-BQYQJAHWSA-N
MW289.40 g/mol
LogP3.73
Rot. Bonds3

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

(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 104619972) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID104619972
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(C(C)(C)C)[nH]n2)s1
InChIInChI=1S/C15H19N3OS/c1-10-5-6-11(20-10)7-8-14(19)16-13-9-12(17-18-13)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18,19)/b8-7+
InChIKeyAETMVAWOWLKCFG-BQYQJAHWSA-N
XLogP3.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77020045
(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 104619965
4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobut-2-enoic acid
CID 70475368
(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789521
3-[3-(5-bromothiophen-2-yl)prop-2-enoylamino]-1H-pyrazole-5-carboxylic acid
CID 77043269
(E)-3-(5-chlorothiophen-2-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619908
3-fluoro-4-[3-(5-methylthiophen-2-yl)prop-2-enoylamino]benzoic acid
CID 76988149
4-methyl-3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 43239577
3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952338
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 104619972) is (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc(C(C)(C)C)[nH]n2)s1.
What is the InChIKey of (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is AETMVAWOWLKCFG-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-5-6-11(20-10)7-8-14(19)16-13-9-12(17-18-13)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18,19)/b8-7+.
What are the key properties of (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 289.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 104619972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).