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

C15H15N3O — CID 83223400

IUPAC3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccco3)n2)c1
InChIInChI=1S/C15H15N3O/c1-11-4-2-5-12(8-11)9-18-10-13(16)15(17-18)14-6-3-7-19-14/h2-8,10H,9,16H2,1H3
InChIKeyZGQDWWIRBOQSSO-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.08
Rot. Bonds3

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

3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine (PubChem CID 83223400) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
PubChem CID83223400
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccco3)n2)c1
InChIInChI=1S/C15H15N3O/c1-11-4-2-5-12(8-11)9-18-10-13(16)15(17-18)14-6-3-7-19-14/h2-8,10H,9,16H2,1H3
InChIKeyZGQDWWIRBOQSSO-UHFFFAOYSA-N
XLogP3.08
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine (CID 83223400) is 3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine is Cc1cccc(Cn2cc(N)c(-c3ccco3)n2)c1.
What is the InChIKey of 3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The InChIKey is ZGQDWWIRBOQSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-4-2-5-12(8-11)9-18-10-13(16)15(17-18)14-6-3-7-19-14/h2-8,10H,9,16H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine has a molecular weight of 253.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83223400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).