(E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide

C15H16BrN3O — CID 55673218

IUPAC(E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
SMILESCCCn1nccc1NC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C15H16BrN3O/c1-2-11-19-14(9-10-17-19)18-15(20)8-7-12-5-3-4-6-13(12)16/h3-10H,2,11H2,1H3,(H,18,20)/b8-7+
InChIKeyCONLRDWFQOYHNR-BQYQJAHWSA-N
MW334.22 g/mol
LogP3.71
Rot. Bonds5

About (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide

(E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide (PubChem CID 55673218) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
PubChem CID55673218
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name(E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
SMILESCCCn1nccc1NC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C15H16BrN3O/c1-2-11-19-14(9-10-17-19)18-15(20)8-7-12-5-3-4-6-13(12)16/h3-10H,2,11H2,1H3,(H,18,20)/b8-7+
InChIKeyCONLRDWFQOYHNR-BQYQJAHWSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.71
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

(E)-3-(2-bromophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 98643129
(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
CID 55778222
(E)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 16564214
(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 86983051
(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
CID 7589756
diethyl 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]propanedioate
CID 25474462
(E)-3-(2-bromophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)prop-2-enamide
CID 115681477
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 7881849
5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide
CID 55760974
3-(2-bromophenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 76858951
(2R)-2-[3-(2-bromophenyl)prop-2-enoylamino]butanoic acid
CID 79023956

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide (CID 55673218) is (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide is CCCn1nccc1NC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide?
The InChIKey is CONLRDWFQOYHNR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-11-19-14(9-10-17-19)18-15(20)8-7-12-5-3-4-6-13(12)16/h3-10H,2,11H2,1H3,(H,18,20)/b8-7+.
What are the key properties of (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide?
(E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide has a molecular weight of 334.22 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 55673218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).