(2-bromophenyl)-pyrazol-1-ylmethanone

C10H7BrN2O — CID 2213207

IUPAC(2-bromophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccccc1Br)n1cccn1
InChIInChI=1S/C10H7BrN2O/c11-9-5-2-1-4-8(9)10(14)13-7-3-6-12-13/h1-7H
InChIKeyJDDYZNBYEUVUHO-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.33
Rot. Bonds1

About (2-bromophenyl)-pyrazol-1-ylmethanone

(2-bromophenyl)-pyrazol-1-ylmethanone (PubChem CID 2213207) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is (2-bromophenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(2-bromophenyl)-pyrazol-1-ylmethanone
PubChem CID2213207
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name(2-bromophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccccc1Br)n1cccn1
InChIInChI=1S/C10H7BrN2O/c11-9-5-2-1-4-8(9)10(14)13-7-3-6-12-13/h1-7H
InChIKeyJDDYZNBYEUVUHO-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 1225310
(4-bromo-1H-pyrazol-1-yl)(2,6-difluorophenyl)methanone
CID 674642
4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 843231
3-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 903830
3-[(1H-pyrazol-1-yl)methyl]benzamide
CID 44375994
(2-bromophenyl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 1245528
1-(2-chlorobenzoyl)-1H-pyrazole
CID 674637
Pyrazole, 1-benzoyl-4-(dimethylamino)-
CID 206691

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (2-bromophenyl)-pyrazol-1-ylmethanone (CID 2213207) is (2-bromophenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (2-bromophenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (2-bromophenyl)-pyrazol-1-ylmethanone is O=C(c1ccccc1Br)n1cccn1.
What is the InChIKey of (2-bromophenyl)-pyrazol-1-ylmethanone?
The InChIKey is JDDYZNBYEUVUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-9-5-2-1-4-8(9)10(14)13-7-3-6-12-13/h1-7H.
What are the key properties of (2-bromophenyl)-pyrazol-1-ylmethanone?
(2-bromophenyl)-pyrazol-1-ylmethanone has a molecular weight of 251.08 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 2213207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).