3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine

C14H13N3O2 — CID 63173008

IUPAC3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccco3)cc2N)cc1
InChIInChI=1S/C14H13N3O2/c1-18-11-6-4-10(5-7-11)17-14(15)9-12(16-17)13-3-2-8-19-13/h2-9H,15H2,1H3
InChIKeyLLZZRIPYAFNCRW-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.72
Rot. Bonds3

About 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine

3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine (PubChem CID 63173008) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine
PubChem CID63173008
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccco3)cc2N)cc1
InChIInChI=1S/C14H13N3O2/c1-18-11-6-4-10(5-7-11)17-14(15)9-12(16-17)13-3-2-8-19-13/h2-9H,15H2,1H3
InChIKeyLLZZRIPYAFNCRW-UHFFFAOYSA-N
XLogP2.72
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine (CID 63173008) is 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine is COc1ccc(-n2nc(-c3ccco3)cc2N)cc1.
What is the InChIKey of 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine?
The InChIKey is LLZZRIPYAFNCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-11-6-4-10(5-7-11)17-14(15)9-12(16-17)13-3-2-8-19-13/h2-9H,15H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine?
3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine has a molecular weight of 255.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 63173008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).