3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine

C17H19N3O — CID 62829943

IUPAC3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
SMILESCc1cccc(-c2c(CCc3ccco3)nn(C)c2N)c1
InChIInChI=1S/C17H19N3O/c1-12-5-3-6-13(11-12)16-15(19-20(2)17(16)18)9-8-14-7-4-10-21-14/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyGTOTVDTWAKJJRC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.36
Rot. Bonds4

About 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine

3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine (PubChem CID 62829943) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
PubChem CID62829943
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
SMILESCc1cccc(-c2c(CCc3ccco3)nn(C)c2N)c1
InChIInChI=1S/C17H19N3O/c1-12-5-3-6-13(11-12)16-15(19-20(2)17(16)18)9-8-14-7-4-10-21-14/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyGTOTVDTWAKJJRC-UHFFFAOYSA-N
XLogP3.36
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine (CID 62829943) is 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine is Cc1cccc(-c2c(CCc3ccco3)nn(C)c2N)c1.
What is the InChIKey of 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine?
The InChIKey is GTOTVDTWAKJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-3-6-13(11-12)16-15(19-20(2)17(16)18)9-8-14-7-4-10-21-14/h3-7,10-11H,8-9,18H2,1-2H3.
What are the key properties of 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine?
3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 62829943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).