N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine

C21H28ClN5 — CID 2035190

IUPACN-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C21H28ClN5/c1-21(2,3)18-13-19(23-11-6-12-26(4)5)27-20(25-18)17(14-24-27)15-7-9-16(22)10-8-15/h7-10,13-14,23H,6,11-12H2,1-5H3
InChIKeyDRIZMJQNTPKFOD-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.71
Rot. Bonds6

About N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine

N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 2035190) has the molecular formula C21H28ClN5 and a molecular weight of 385.94 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID2035190
Molecular FormulaC21H28ClN5
Molecular Weight385.94 g/mol
Exact Mass385.20
IUPAC NameN-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C21H28ClN5/c1-21(2,3)18-13-19(23-11-6-12-26(4)5)27-20(25-18)17(14-24-27)15-7-9-16(22)10-8-15/h7-10,13-14,23H,6,11-12H2,1-5H3
InChIKeyDRIZMJQNTPKFOD-UHFFFAOYSA-N
XLogP4.71
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine 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 N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine (CID 2035190) is N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is DRIZMJQNTPKFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5/c1-21(2,3)18-13-19(23-11-6-12-26(4)5)27-20(25-18)17(14-24-27)15-7-9-16(22)10-8-15/h7-10,13-14,23H,6,11-12H2,1-5H3.
What are the key properties of N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 385.94 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 2035190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).