4-[(4-bromophenoxy)methyl]-1-phenylpyrazole

C16H13BrN2O — CID 43090504

IUPAC4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
SMILESBrc1ccc(OCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H13BrN2O/c17-14-6-8-16(9-7-14)20-12-13-10-18-19(11-13)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyKISVFCVJBSOVMF-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.21
Rot. Bonds4

About 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole

4-[(4-bromophenoxy)methyl]-1-phenylpyrazole (PubChem CID 43090504) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
PubChem CID43090504
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
SMILESBrc1ccc(OCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H13BrN2O/c17-14-6-8-16(9-7-14)20-12-13-10-18-19(11-13)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyKISVFCVJBSOVMF-UHFFFAOYSA-N
XLogP4.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
CID 60710496
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
2-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 43332182
3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine
CID 171090153
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
4-(iodomethyl)-1-[3-(phenoxymethyl)phenyl]pyrazole
CID 126676613
(2S)-2-(4-bromophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950804
4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
CID 117234072
1-(4-bromophenyl)-4-ethylpyrazole
CID 84804013
2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 8979522
4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958445
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole?
The IUPAC name of 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole (CID 43090504) is 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole?
The canonical SMILES for 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole is Brc1ccc(OCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole?
The InChIKey is KISVFCVJBSOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-14-6-8-16(9-7-14)20-12-13-10-18-19(11-13)15-4-2-1-3-5-15/h1-11H,12H2.
What are the key properties of 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole?
4-[(4-bromophenoxy)methyl]-1-phenylpyrazole has a molecular weight of 329.20 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenoxy)methyl]-1-phenylpyrazole is sourced from PubChem (CID 43090504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).