3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine

C14H11BrClN3O — CID 43336312

IUPAC3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)o2)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C14H11BrClN3O/c1-19-14(17)12(8-3-2-4-9(16)7-8)13(18-19)10-5-6-11(15)20-10/h2-7H,17H2,1H3
InChIKeyVQKFNAXEINJJGJ-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.35
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine

3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine (PubChem CID 43336312) has the molecular formula C14H11BrClN3O and a molecular weight of 352.62 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
PubChem CID43336312
Molecular FormulaC14H11BrClN3O
Molecular Weight352.62 g/mol
Exact Mass350.98
IUPAC Name3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)o2)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C14H11BrClN3O/c1-19-14(17)12(8-3-2-4-9(16)7-8)13(18-19)10-5-6-11(15)20-10/h2-7H,17H2,1H3
InChIKeyVQKFNAXEINJJGJ-UHFFFAOYSA-N
XLogP4.35
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromofuran-2-yl)-4-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336443
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine
CID 107962606
5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710573
3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 106687598
4-(3-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122516
4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
CID 43158522
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957
4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921955
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336306

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine (CID 43336312) is 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Br)o2)c(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is VQKFNAXEINJJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O/c1-19-14(17)12(8-3-2-4-9(16)7-8)13(18-19)10-5-6-11(15)20-10/h2-7H,17H2,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine?
3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 352.62 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43336312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).