5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline

C17H24N4 — CID 136838415

IUPAC5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline
SMILESCCCCc1cc2n(n1)C(c1ccc(C)c(N)c1)CCN2
InChIInChI=1S/C17H24N4/c1-3-4-5-14-11-17-19-9-8-16(21(17)20-14)13-7-6-12(2)15(18)10-13/h6-7,10-11,16,19H,3-5,8-9,18H2,1-2H3
InChIKeyCNIATFJWEOEOOK-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.52
Rot. Bonds4

About 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline

5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline (PubChem CID 136838415) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline
PubChem CID136838415
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline
SMILESCCCCc1cc2n(n1)C(c1ccc(C)c(N)c1)CCN2
InChIInChI=1S/C17H24N4/c1-3-4-5-14-11-17-19-9-8-16(21(17)20-14)13-7-6-12(2)15(18)10-13/h6-7,10-11,16,19H,3-5,8-9,18H2,1-2H3
InChIKeyCNIATFJWEOEOOK-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline?
The IUPAC name of 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline (CID 136838415) is 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline.
What is the SMILES notation for 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline?
The canonical SMILES for 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline is CCCCc1cc2n(n1)C(c1ccc(C)c(N)c1)CCN2.
What is the InChIKey of 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline?
The InChIKey is CNIATFJWEOEOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-4-5-14-11-17-19-9-8-16(21(17)20-14)13-7-6-12(2)15(18)10-13/h6-7,10-11,16,19H,3-5,8-9,18H2,1-2H3.
What are the key properties of 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline?
5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline has a molecular weight of 284.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline is sourced from PubChem (CID 136838415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).