(4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone

C10H4BrClF2N2O — CID 674635

IUPAC(4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)n1cc(Br)cn1
InChIInChI=1S/C10H4BrClF2N2O/c11-5-3-15-16(4-5)10(17)6-1-8(13)9(14)2-7(6)12/h1-4H
InChIKeySSRIKTAQJWMPPG-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.27
Rot. Bonds1

About (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone

(4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone (PubChem CID 674635) has the molecular formula C10H4BrClF2N2O and a molecular weight of 321.51 g/mol. Its IUPAC name is (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone
PubChem CID674635
Molecular FormulaC10H4BrClF2N2O
Molecular Weight321.51 g/mol
Exact Mass319.92
IUPAC Name(4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)n1cc(Br)cn1
InChIInChI=1S/C10H4BrClF2N2O/c11-5-3-15-16(4-5)10(17)6-1-8(13)9(14)2-7(6)12/h1-4H
InChIKeySSRIKTAQJWMPPG-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(4-fluorobenzoyl)-1H-pyrazole
CID 674652
4-bromo-1-[(3-methylphenyl)carbonyl]-1H-pyrazole
CID 674653
4-chloro-1-(2-chlorobenzoyl)-1H-pyrazole
CID 674633
4-bromo-1-[(2-methylphenyl)carbonyl]-1H-pyrazole
CID 674650
4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole
CID 674656
(4-bromo-1H-pyrazol-1-yl)(2,6-difluorophenyl)methanone
CID 674642
(2-Chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone
CID 747176
(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)(2-chloro-4-fluorophenyl)methanone
CID 52906666
1-(2-chlorobenzoyl)-1H-pyrazole
CID 674637
2-Chloro-5-fluorophenyl pyrazolyl ketone
CID 674636
2-chloro-N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5410789
5-bromo-2-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 32355959

Frequently Asked Questions

What is the IUPAC name of (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone?
The IUPAC name of (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone (CID 674635) is (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone.
What is the SMILES notation for (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone?
The canonical SMILES for (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone is O=C(c1cc(F)c(F)cc1Cl)n1cc(Br)cn1.
What is the InChIKey of (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone?
The InChIKey is SSRIKTAQJWMPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClF2N2O/c11-5-3-15-16(4-5)10(17)6-1-8(13)9(14)2-7(6)12/h1-4H.
What are the key properties of (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone?
(4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone has a molecular weight of 321.51 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopyrazol-1-yl)-(2-chloro-4,5-difluorophenyl)methanone is sourced from PubChem (CID 674635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).