1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole

C12H10BrN3O2 — CID 62491933

IUPAC1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole
SMILESO=[N+]([O-])c1cc(Br)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H10BrN3O2/c13-9-3-4-11(12(7-9)16(17)18)15-6-5-10(14-15)8-1-2-8/h3-8H,1-2H2
InChIKeyUDQNCJBPRLJIPG-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.42
Rot. Bonds3

About 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole

1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole (PubChem CID 62491933) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole.

Molecular Properties

Compound Name1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole
PubChem CID62491933
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole
SMILESO=[N+]([O-])c1cc(Br)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H10BrN3O2/c13-9-3-4-11(12(7-9)16(17)18)15-6-5-10(14-15)8-1-2-8/h3-8H,1-2H2
InChIKeyUDQNCJBPRLJIPG-UHFFFAOYSA-N
XLogP3.42
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol
CID 63372046
5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline
CID 62492936
1-(4-bromo-2-nitrophenyl)pyrazole-3-carboxamide
CID 64781002
1-[2-(bromomethyl)-4-nitrophenyl]-3-cyclopropylpyrazole
CID 107086093
1-(4-bromo-2-nitrophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781574
5-(3-cyclopropylpyrazol-1-yl)-4-fluoro-2-nitrobenzoic acid
CID 62494806
1-[5-(3-cyclopropylpyrazol-1-yl)-2-nitrophenyl]ethanone
CID 104613728
3-(3-cyclopropylpyrazol-1-yl)-2-nitrobenzoic acid
CID 115540945
1-(4-bromo-2-nitrophenyl)azetidin-3-amine
CID 65250097
(1R,2S,6S,7S)-4-(4-bromo-2-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 11880182
1-(4-bromo-2-nitrophenyl)piperidin-4-one
CID 24709544
1-(4-bromo-2-nitrophenyl)piperidin-3-ol
CID 55362682

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole?
The IUPAC name of 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole (CID 62491933) is 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole.
What is the SMILES notation for 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole?
The canonical SMILES for 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole is O=[N+]([O-])c1cc(Br)ccc1-n1ccc(C2CC2)n1.
What is the InChIKey of 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole?
The InChIKey is UDQNCJBPRLJIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-9-3-4-11(12(7-9)16(17)18)15-6-5-10(14-15)8-1-2-8/h3-8H,1-2H2.
What are the key properties of 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole?
1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole has a molecular weight of 308.14 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole is sourced from PubChem (CID 62491933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).