(4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone

C10H5BrF2N2O — CID 674642

IUPAC(4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)n1cc(Br)cn1
InChIInChI=1S/C10H5BrF2N2O/c11-6-4-14-15(5-6)10(16)9-7(12)2-1-3-8(9)13/h1-5H
InChIKeyPZQVUIJLKBCLOG-UHFFFAOYSA-N
MW287.06 g/mol
LogP2.61
Rot. Bonds1

About (4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone

(4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone (PubChem CID 674642) has the molecular formula C10H5BrF2N2O and a molecular weight of 287.06 g/mol. Its IUPAC name is (4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone
PubChem CID674642
Molecular FormulaC10H5BrF2N2O
Molecular Weight287.06 g/mol
Exact Mass285.96
IUPAC Name(4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)n1cc(Br)cn1
InChIInChI=1S/C10H5BrF2N2O/c11-6-4-14-15(5-6)10(16)9-7(12)2-1-3-8(9)13/h1-5H
InChIKeyPZQVUIJLKBCLOG-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole, 4-chloro-1-(2-methylbenzoyl)-
CID 577102
4-chloro-1-(4-fluorobenzoyl)-1H-pyrazole
CID 674652
4-bromo-1-[(3-methylphenyl)carbonyl]-1H-pyrazole
CID 674653
4-bromo-1-[(2-methylphenyl)carbonyl]-1H-pyrazole
CID 674650
4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole
CID 674656
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
Benzamide, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)-
CID 993965
(4-bromo-1H-pyrazol-1-yl)(2-chloro-4,5-difluorophenyl)methanone
CID 674635
N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 5410782
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorobenzamide
CID 708832
4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 843231
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
CID 4094910

Frequently Asked Questions

What is the IUPAC name of (4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone (CID 674642) is (4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)n1cc(Br)cn1.
What is the InChIKey of (4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone?
The InChIKey is PZQVUIJLKBCLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2N2O/c11-6-4-14-15(5-6)10(16)9-7(12)2-1-3-8(9)13/h1-5H.
What are the key properties of (4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone?
(4-bromopyrazol-1-yl)-(2,6-difluorophenyl)methanone has a molecular weight of 287.06 g/mol, XLogP of 2.61, 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)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 674642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).