(E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide

C14H14BrN3O — CID 104619611

IUPAC(E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCCc1cc(NC(=O)/C=C/c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C14H14BrN3O/c1-2-12-9-13(18-17-12)16-14(19)7-6-10-4-3-5-11(15)8-10/h3-9H,2H2,1H3,(H2,16,17,18,19)/b7-6+
InChIKeyKWNYCPDZZRDFMM-VOTSOKGWSA-N
MW320.19 g/mol
LogP3.39
Rot. Bonds4

About (E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide

(E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 104619611) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID104619611
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name(E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCCc1cc(NC(=O)/C=C/c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C14H14BrN3O/c1-2-12-9-13(18-17-12)16-14(19)7-6-10-4-3-5-11(15)8-10/h3-9H,2H2,1H3,(H2,16,17,18,19)/b7-6+
InChIKeyKWNYCPDZZRDFMM-VOTSOKGWSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.39
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-(4-ethylphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619640
(E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621065
(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 104619659
(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619610
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
(E)-3-(3-chloro-4-fluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619569
(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
3-[3-(3-methylphenyl)prop-2-enoylamino]-1H-pyrazole-5-carboxylic acid
CID 78996490
2-[3-(3-bromophenyl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037440
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 43430724

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide (CID 104619611) is (E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide is CCc1cc(NC(=O)/C=C/c2cccc(Br)c2)n[nH]1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is KWNYCPDZZRDFMM-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-2-12-9-13(18-17-12)16-14(19)7-6-10-4-3-5-11(15)8-10/h3-9H,2H2,1H3,(H2,16,17,18,19)/b7-6+.
What are the key properties of (E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide?
(E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 320.19 g/mol, XLogP of 3.39, 4 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-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 104619611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).