1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine

C16H14BrN3O — CID 43542770

IUPAC1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C16H14BrN3O/c1-21-14-7-2-4-11(8-14)15-10-16(18)20(19-15)13-6-3-5-12(17)9-13/h2-10H,18H2,1H3
InChIKeyYEKSVCIGUHQHAY-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.89
Rot. Bonds3

About 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine

1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine (PubChem CID 43542770) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
PubChem CID43542770
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C16H14BrN3O/c1-21-14-7-2-4-11(8-14)15-10-16(18)20(19-15)13-6-3-5-12(17)9-13/h2-10H,18H2,1H3
InChIKeyYEKSVCIGUHQHAY-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

1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 43542754
3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine
CID 43435966
1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 43542763
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82881440
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine
CID 43436012
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
3-(3-bromophenyl)-1-(2,4-dimethylphenyl)pyrazol-5-amine
CID 43436058
3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
CID 6946121
3-[4-(3-methoxyphenyl)imidazol-1-yl]aniline
CID 16666725

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine (CID 43542770) is 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine is COc1cccc(-c2cc(N)n(-c3cccc(Br)c3)n2)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine?
The InChIKey is YEKSVCIGUHQHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-21-14-7-2-4-11(8-14)15-10-16(18)20(19-15)13-6-3-5-12(17)9-13/h2-10H,18H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine?
1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-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 1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 43542770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).