4,5-dibromo-1-phenylmethoxypyrazole

C10H8Br2N2O — CID 10314667

IUPAC4,5-dibromo-1-phenylmethoxypyrazole
SMILESBrc1cnn(OCc2ccccc2)c1Br
InChIInChI=1S/C10H8Br2N2O/c11-9-6-13-14(10(9)12)15-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyQRGAVWVHODHEGI-UHFFFAOYSA-N
MW332.00 g/mol
LogP3.04
Rot. Bonds3

About 4,5-dibromo-1-phenylmethoxypyrazole

4,5-dibromo-1-phenylmethoxypyrazole (PubChem CID 10314667) has the molecular formula C10H8Br2N2O and a molecular weight of 332.00 g/mol. Its IUPAC name is 4,5-dibromo-1-phenylmethoxypyrazole.

Molecular Properties

Compound Name4,5-dibromo-1-phenylmethoxypyrazole
PubChem CID10314667
Molecular FormulaC10H8Br2N2O
Molecular Weight332.00 g/mol
Exact Mass329.90
IUPAC Name4,5-dibromo-1-phenylmethoxypyrazole
SMILESBrc1cnn(OCc2ccccc2)c1Br
InChIInChI=1S/C10H8Br2N2O/c11-9-6-13-14(10(9)12)15-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyQRGAVWVHODHEGI-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.00
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
CID 10965992
4-chloro-1-phenylmethoxypyrazole
CID 91619331
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
phenylmethoxysulfanyloxymethylbenzene
CID 10634174
4-ethyl-1-phenylmethoxypyrazole
CID 119082094
CID 66734377
CID 66734377
1-benzyl-4-bromo-5-methylpyrazole
CID 15129851
2-methyl-5-phenylmethoxy-1H-imidazo[4,5-d]pyridazin-3-ium-4-one
CID 173165638
4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine
CID 171334734
benzyl N-(4-bromo-1-methylpyrazol-5-yl)carbamate
CID 71265851
1-phenylmethoxypyrazole-4-carbonitrile
CID 10703150
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-phenylmethoxypyrazole?
The IUPAC name of 4,5-dibromo-1-phenylmethoxypyrazole (CID 10314667) is 4,5-dibromo-1-phenylmethoxypyrazole.
What is the SMILES notation for 4,5-dibromo-1-phenylmethoxypyrazole?
The canonical SMILES for 4,5-dibromo-1-phenylmethoxypyrazole is Brc1cnn(OCc2ccccc2)c1Br.
What is the InChIKey of 4,5-dibromo-1-phenylmethoxypyrazole?
The InChIKey is QRGAVWVHODHEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O/c11-9-6-13-14(10(9)12)15-7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 4,5-dibromo-1-phenylmethoxypyrazole?
4,5-dibromo-1-phenylmethoxypyrazole has a molecular weight of 332.00 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-phenylmethoxypyrazole is sourced from PubChem (CID 10314667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).