6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C26H28N4 — CID 3830101

IUPAC6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(NC2CCCC2)c1Cc1ccccc1
InChIInChI=1S/C26H28N4/c1-18-23(17-20-11-5-3-6-12-20)25(28-22-15-9-10-16-22)30-26(27-18)24(19(2)29-30)21-13-7-4-8-14-21/h3-8,11-14,22,28H,9-10,15-17H2,1-2H3
InChIKeyDXEHHSFHRDIIEG-UHFFFAOYSA-N
MW396.54 g/mol
LogP5.96
Rot. Bonds5

About 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3830101) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3830101
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(NC2CCCC2)c1Cc1ccccc1
InChIInChI=1S/C26H28N4/c1-18-23(17-20-11-5-3-6-12-20)25(28-22-15-9-10-16-22)30-26(27-18)24(19(2)29-30)21-13-7-4-8-14-21/h3-8,11-14,22,28H,9-10,15-17H2,1-2H3
InChIKeyDXEHHSFHRDIIEG-UHFFFAOYSA-N
XLogP5.96
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine 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 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3830101) is 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(-c3ccccc3)c(C)nn2c(NC2CCCC2)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DXEHHSFHRDIIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-18-23(17-20-11-5-3-6-12-20)25(28-22-15-9-10-16-22)30-26(27-18)24(19(2)29-30)21-13-7-4-8-14-21/h3-8,11-14,22,28H,9-10,15-17H2,1-2H3.
What are the key properties of 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 396.54 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3830101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).