3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine

C22H30N4 — CID 57181425

IUPAC3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine
SMILESCCC(CCN)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C)nn12
InChIInChI=1S/C22H30N4/c1-7-18(8-9-23)19-12-16(5)24-22-21(17(6)25-26(19)22)20-14(3)10-13(2)11-15(20)4/h10-12,18H,7-9,23H2,1-6H3
InChIKeyHCEGFYQSXIYIKB-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.78
Rot. Bonds5

About 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine

3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine (PubChem CID 57181425) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine
PubChem CID57181425
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine
SMILESCCC(CCN)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C)nn12
InChIInChI=1S/C22H30N4/c1-7-18(8-9-23)19-12-16(5)24-22-21(17(6)25-26(19)22)20-14(3)10-13(2)11-15(20)4/h10-12,18H,7-9,23H2,1-6H3
InChIKeyHCEGFYQSXIYIKB-UHFFFAOYSA-N
XLogP4.78
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-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 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine?
The IUPAC name of 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine (CID 57181425) is 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine.
What is the SMILES notation for 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine?
The canonical SMILES for 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine is CCC(CCN)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C)nn12.
What is the InChIKey of 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine?
The InChIKey is HCEGFYQSXIYIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-7-18(8-9-23)19-12-16(5)24-22-21(17(6)25-26(19)22)20-14(3)10-13(2)11-15(20)4/h10-12,18H,7-9,23H2,1-6H3.
What are the key properties of 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine?
3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine has a molecular weight of 350.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentan-1-amine is sourced from PubChem (CID 57181425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).