(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide

C12H10BrN3O — CID 43430724

IUPAC(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)Nc1cn[nH]c1
InChIInChI=1S/C12H10BrN3O/c13-10-3-1-2-9(6-10)4-5-12(17)16-11-7-14-15-8-11/h1-8H,(H,14,15)(H,16,17)/b5-4+
InChIKeyUTMLWUDMKWYTGY-SNAWJCMRSA-N
MW292.14 g/mol
LogP2.82
Rot. Bonds3

About (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide

(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide (PubChem CID 43430724) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
PubChem CID43430724
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)Nc1cn[nH]c1
InChIInChI=1S/C12H10BrN3O/c13-10-3-1-2-9(6-10)4-5-12(17)16-11-7-14-15-8-11/h1-8H,(H,14,15)(H,16,17)/b5-4+
InChIKeyUTMLWUDMKWYTGY-SNAWJCMRSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.82
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

3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 6158871
(E)-3-(3-bromophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 16551375
4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-N-methylbenzamide
CID 24635591
2-[4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]pyrazol-1-yl]acetic acid
CID 66525084
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571
(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 43540424
2-[3-(3-bromophenyl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037440
(E)-3-(3-bromophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
CID 78927616
(E)-3-(3-bromophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 112689282
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide (CID 43430724) is (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide is O=C(/C=C/c1cccc(Br)c1)Nc1cn[nH]c1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
The InChIKey is UTMLWUDMKWYTGY-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-10-3-1-2-9(6-10)4-5-12(17)16-11-7-14-15-8-11/h1-8H,(H,14,15)(H,16,17)/b5-4+.
What are the key properties of (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide has a molecular weight of 292.14 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 43430724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).