5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole

C17H15BrN2O — CID 102325228

IUPAC5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(Cc3ccccc3Br)[nH]n2)cc1
InChIInChI=1S/C17H15BrN2O/c1-21-15-8-6-12(7-9-15)17-11-14(19-20-17)10-13-4-2-3-5-16(13)18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyGLYILUAYWCNQIU-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.44
Rot. Bonds4

About 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole

5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 102325228) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID102325228
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(Cc3ccccc3Br)[nH]n2)cc1
InChIInChI=1S/C17H15BrN2O/c1-21-15-8-6-12(7-9-15)17-11-14(19-20-17)10-13-4-2-3-5-16(13)18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyGLYILUAYWCNQIU-UHFFFAOYSA-N
XLogP4.44
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850457
4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine
CID 69315255
(2-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504596
5-[(2-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093063
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986936
5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 166627944
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole (CID 102325228) is 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(Cc3ccccc3Br)[nH]n2)cc1.
What is the InChIKey of 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is GLYILUAYWCNQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-21-15-8-6-12(7-9-15)17-11-14(19-20-17)10-13-4-2-3-5-16(13)18/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole?
5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 343.22 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 102325228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).