3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine

C15H14ClN3O — CID 106687607

IUPAC3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2c(-c3ccoc3Cl)nn(C)c2N)cc1
InChIInChI=1S/C15H14ClN3O/c1-9-3-5-10(6-4-9)12-13(18-19(2)15(12)17)11-7-8-20-14(11)16/h3-8H,17H2,1-2H3
InChIKeyAQOQDDJYZGXLAW-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.89
Rot. Bonds2

About 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine

3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine (PubChem CID 106687607) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
PubChem CID106687607
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2c(-c3ccoc3Cl)nn(C)c2N)cc1
InChIInChI=1S/C15H14ClN3O/c1-9-3-5-10(6-4-9)12-13(18-19(2)15(12)17)11-7-8-20-14(11)16/h3-8H,17H2,1-2H3
InChIKeyAQOQDDJYZGXLAW-UHFFFAOYSA-N
XLogP3.89
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine (CID 106687607) is 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2c(-c3ccoc3Cl)nn(C)c2N)cc1.
What is the InChIKey of 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is AQOQDDJYZGXLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9-3-5-10(6-4-9)12-13(18-19(2)15(12)17)11-7-8-20-14(11)16/h3-8H,17H2,1-2H3.
What are the key properties of 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 287.75 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 106687607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).