3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline

C16H22N4 — CID 136838919

IUPAC3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
SMILESCC(C)Cc1cc2n(n1)C(c1cccc(N)c1)CCN2
InChIInChI=1S/C16H22N4/c1-11(2)8-14-10-16-18-7-6-15(20(16)19-14)12-4-3-5-13(17)9-12/h3-5,9-11,15,18H,6-8,17H2,1-2H3
InChIKeyZLLWLFURTNSXIS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.07
Rot. Bonds3

About 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline

3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline (PubChem CID 136838919) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline.

Molecular Properties

Compound Name3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
PubChem CID136838919
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
SMILESCC(C)Cc1cc2n(n1)C(c1cccc(N)c1)CCN2
InChIInChI=1S/C16H22N4/c1-11(2)8-14-10-16-18-7-6-15(20(16)19-14)12-4-3-5-13(17)9-12/h3-5,9-11,15,18H,6-8,17H2,1-2H3
InChIKeyZLLWLFURTNSXIS-UHFFFAOYSA-N
XLogP3.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline?
The IUPAC name of 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline (CID 136838919) is 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline.
What is the SMILES notation for 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline?
The canonical SMILES for 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline is CC(C)Cc1cc2n(n1)C(c1cccc(N)c1)CCN2.
What is the InChIKey of 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline?
The InChIKey is ZLLWLFURTNSXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)8-14-10-16-18-7-6-15(20(16)19-14)12-4-3-5-13(17)9-12/h3-5,9-11,15,18H,6-8,17H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline?
3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline is sourced from PubChem (CID 136838919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).