3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide

C12H10BrN3O — CID 61393521

IUPAC3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)cc1)Nc1ccn[nH]1
InChIInChI=1S/C12H10BrN3O/c13-10-4-1-9(2-5-10)3-6-12(17)15-11-7-8-14-16-11/h1-8H,(H2,14,15,16,17)
InChIKeyRXQTZYAZFNORTJ-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.82
Rot. Bonds3

About 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide

3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide (PubChem CID 61393521) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide
PubChem CID61393521
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)cc1)Nc1ccn[nH]1
InChIInChI=1S/C12H10BrN3O/c13-10-4-1-9(2-5-10)3-6-12(17)15-11-7-8-14-16-11/h1-8H,(H2,14,15,16,17)
InChIKeyRXQTZYAZFNORTJ-UHFFFAOYSA-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-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393054
N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
CID 70007700
(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 110501197
3-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 76873152
(E)-4-oxo-4-(1H-pyrazol-5-ylamino)but-2-enoic acid
CID 71670290
N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 61393043
3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393608
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
5-bromo-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 55209020
3-(4-bromophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 887856
(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 102820557
2-[3-(4-bromophenyl)prop-2-enoylamino]-4-chlorobenzoic acid
CID 54565649

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide?
The IUPAC name of 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide (CID 61393521) is 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide is O=C(C=Cc1ccc(Br)cc1)Nc1ccn[nH]1.
What is the InChIKey of 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide?
The InChIKey is RXQTZYAZFNORTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-10-4-1-9(2-5-10)3-6-12(17)15-11-7-8-14-16-11/h1-8H,(H2,14,15,16,17).
What are the key properties of 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide?
3-(4-bromophenyl)-N-(1H-pyrazol-5-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 3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 61393521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).