4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine

C15H14BrN3O — CID 114821046

IUPAC4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2ccc(Br)cc2)co1
InChIInChI=1S/C15H14BrN3O/c1-9-7-11(8-20-9)14-13(15(17)19(2)18-14)10-3-5-12(16)6-4-10/h3-8H,17H2,1-2H3
InChIKeyIZYGXNDEKHYUEO-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.00
Rot. Bonds2

About 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine

4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine (PubChem CID 114821046) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
PubChem CID114821046
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2ccc(Br)cc2)co1
InChIInChI=1S/C15H14BrN3O/c1-9-7-11(8-20-9)14-13(15(17)19(2)18-14)10-3-5-12(16)6-4-10/h3-8H,17H2,1-2H3
InChIKeyIZYGXNDEKHYUEO-UHFFFAOYSA-N
XLogP4.00
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821050
4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821040
4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
CID 43336416
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124
4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336413
3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43629973
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
4-(4-bromophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122805
3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 62831180
3-(furan-2-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 62830832
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 106687607

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine (CID 114821046) is 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine is Cc1cc(-c2nn(C)c(N)c2-c2ccc(Br)cc2)co1.
What is the InChIKey of 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine?
The InChIKey is IZYGXNDEKHYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-7-11(8-20-9)14-13(15(17)19(2)18-14)10-3-5-12(16)6-4-10/h3-8H,17H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine?
4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine has a molecular weight of 332.20 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine is sourced from PubChem (CID 114821046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).