3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine

C16H14BrN3O — CID 83205030

IUPAC3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
SMILESCOc1ccc(-n2cc(N)c(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3O/c1-21-14-8-6-13(7-9-14)20-10-15(18)16(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3
InChIKeyRTDJEVVFJADSSL-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.89
Rot. Bonds3

About 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine

3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine (PubChem CID 83205030) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
PubChem CID83205030
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
SMILESCOc1ccc(-n2cc(N)c(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3O/c1-21-14-8-6-13(7-9-14)20-10-15(18)16(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3
InChIKeyRTDJEVVFJADSSL-UHFFFAOYSA-N
XLogP3.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine
CID 83216722
1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine
CID 83216745
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83203402
3-(3-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83204335
3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine
CID 83204322
4-(4-bromophenyl)-2-ethyl-5-(4-methoxyphenyl)triazole
CID 71126308
1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine
CID 83205397
1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
CID 83222401
3-(2-bromophenyl)-1-(4-bromophenyl)pyrazol-4-amine
CID 83223081
1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine
CID 83222311
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine (CID 83205030) is 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine is COc1ccc(-n2cc(N)c(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine?
The InChIKey is RTDJEVVFJADSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-21-14-8-6-13(7-9-14)20-10-15(18)16(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine?
3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine has a molecular weight of 344.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine is sourced from PubChem (CID 83205030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).