N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine

C20H27N5 — CID 16669380

IUPACN-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1ccc(-c2c(C)nn3c(NCCCN(C)C)cc(C)nc23)cc1
InChIInChI=1S/C20H27N5/c1-14-7-9-17(10-8-14)19-16(3)23-25-18(13-15(2)22-20(19)25)21-11-6-12-24(4)5/h7-10,13,21H,6,11-12H2,1-5H3
InChIKeyKXHRACJEOYPBFU-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.69
Rot. Bonds6

About N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 16669380) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID16669380
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1ccc(-c2c(C)nn3c(NCCCN(C)C)cc(C)nc23)cc1
InChIInChI=1S/C20H27N5/c1-14-7-9-17(10-8-14)19-16(3)23-25-18(13-15(2)22-20(19)25)21-11-6-12-24(4)5/h7-10,13,21H,6,11-12H2,1-5H3
InChIKeyKXHRACJEOYPBFU-UHFFFAOYSA-N
XLogP3.69
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2,5-dimethyl-3-(4-methylphenyl)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

Related Compounds

Enmd-2076
CID 16041424
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
(R)-Zinc-3573
CID 95882507
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine (CID 16669380) is N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine is Cc1ccc(-c2c(C)nn3c(NCCCN(C)C)cc(C)nc23)cc1.
What is the InChIKey of N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KXHRACJEOYPBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-14-7-9-17(10-8-14)19-16(3)23-25-18(13-15(2)22-20(19)25)21-11-6-12-24(4)5/h7-10,13,21H,6,11-12H2,1-5H3.
What are the key properties of N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 337.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 16669380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).