1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine

C12H15N3O — CID 61271706

IUPAC1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine
SMILESCC(C1CC1)n1nc(-c2ccco2)cc1N
InChIInChI=1S/C12H15N3O/c1-8(9-4-5-9)15-12(13)7-10(14-15)11-3-2-6-16-11/h2-3,6-9H,4-5,13H2,1H3
InChIKeyWJCJMIQXKYDXHG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.70
Rot. Bonds3

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

1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine (PubChem CID 61271706) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine
PubChem CID61271706
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine
SMILESCC(C1CC1)n1nc(-c2ccco2)cc1N
InChIInChI=1S/C12H15N3O/c1-8(9-4-5-9)15-12(13)7-10(14-15)11-3-2-6-16-11/h2-3,6-9H,4-5,13H2,1H3
InChIKeyWJCJMIQXKYDXHG-UHFFFAOYSA-N
XLogP2.70
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine (CID 61271706) is 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine is CC(C1CC1)n1nc(-c2ccco2)cc1N.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine?
The InChIKey is WJCJMIQXKYDXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(9-4-5-9)15-12(13)7-10(14-15)11-3-2-6-16-11/h2-3,6-9H,4-5,13H2,1H3.
What are the key properties of 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine?
1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine has a molecular weight of 217.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 61271706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).