(Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide

C21H20BrN3O — CID 19295838

IUPAC(Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
SMILESO=C(NCCCn1cc(Br)cn1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20BrN3O/c22-19-15-24-25(16-19)13-7-12-23-21(26)20(18-10-5-2-6-11-18)14-17-8-3-1-4-9-17/h1-6,8-11,14-16H,7,12-13H2,(H,23,26)/b20-14-
InChIKeyYOJQMBLVTFBTOK-ZHZULCJRSA-N
MW410.31 g/mol
LogP4.39
Rot. Bonds7

About (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide

(Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide (PubChem CID 19295838) has the molecular formula C21H20BrN3O and a molecular weight of 410.31 g/mol. Its IUPAC name is (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
PubChem CID19295838
Molecular FormulaC21H20BrN3O
Molecular Weight410.31 g/mol
Exact Mass409.08
IUPAC Name(Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
SMILESO=C(NCCCn1cc(Br)cn1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20BrN3O/c22-19-15-24-25(16-19)13-7-12-23-21(26)20(18-10-5-2-6-11-18)14-17-8-3-1-4-9-17/h1-6,8-11,14-16H,7,12-13H2,(H,23,26)/b20-14-
InChIKeyYOJQMBLVTFBTOK-ZHZULCJRSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19327946
4-(4-bromopyrazol-1-yl)-1-phenylbutan-1-one
CID 54910023
benzyl N-[3-(4-bromopyrazol-1-yl)propyl]carbamate
CID 130570425
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
(Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19295398
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
1-[3-(4-bromopyrazol-1-yl)propyl]-3-butylurea
CID 19334000
(E)-N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19295855
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide
CID 19297512
(Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide
CID 19346305
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
(Z)-N-(2-morpholin-4-ylethyl)-2,3-diphenylprop-2-enamide
CID 890168

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide (CID 19295838) is (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide is O=C(NCCCn1cc(Br)cn1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
The InChIKey is YOJQMBLVTFBTOK-ZHZULCJRSA-N. The full InChI is InChI=1S/C21H20BrN3O/c22-19-15-24-25(16-19)13-7-12-23-21(26)20(18-10-5-2-6-11-18)14-17-8-3-1-4-9-17/h1-6,8-11,14-16H,7,12-13H2,(H,23,26)/b20-14-.
What are the key properties of (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
(Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide has a molecular weight of 410.31 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19295838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).