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

C17H24N4 — CID 136838692

IUPAC3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline
SMILESCCCC(C)c1cc2n(n1)C(c1cccc(N)c1)CCN2
InChIInChI=1S/C17H24N4/c1-3-5-12(2)15-11-17-19-9-8-16(21(17)20-15)13-6-4-7-14(18)10-13/h4,6-7,10-12,16,19H,3,5,8-9,18H2,1-2H3
InChIKeyMXXHKAMKLTVHFJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.77
Rot. Bonds4

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

3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline (PubChem CID 136838692) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline.

Molecular Properties

Compound Name3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline
PubChem CID136838692
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline
SMILESCCCC(C)c1cc2n(n1)C(c1cccc(N)c1)CCN2
InChIInChI=1S/C17H24N4/c1-3-5-12(2)15-11-17-19-9-8-16(21(17)20-15)13-6-4-7-14(18)10-13/h4,6-7,10-12,16,19H,3,5,8-9,18H2,1-2H3
InChIKeyMXXHKAMKLTVHFJ-UHFFFAOYSA-N
XLogP3.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.77
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-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline?
The IUPAC name of 3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline (CID 136838692) is 3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline.
What is the SMILES notation for 3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline?
The canonical SMILES for 3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline is CCCC(C)c1cc2n(n1)C(c1cccc(N)c1)CCN2.
What is the InChIKey of 3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline?
The InChIKey is MXXHKAMKLTVHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-5-12(2)15-11-17-19-9-8-16(21(17)20-15)13-6-4-7-14(18)10-13/h4,6-7,10-12,16,19H,3,5,8-9,18H2,1-2H3.
What are the key properties of 3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline?
3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline has a molecular weight of 284.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline is sourced from PubChem (CID 136838692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).