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

C21H29N5 — CID 71463222

IUPACN'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1ccc(-c2c(C)nn3c(N(C)CCCN(C)C)cc(C)nc23)cc1
InChIInChI=1S/C21H29N5/c1-15-8-10-18(11-9-15)20-17(3)23-26-19(14-16(2)22-21(20)26)25(6)13-7-12-24(4)5/h8-11,14H,7,12-13H2,1-6H3
InChIKeyQUWCAAFHVKRTRL-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.71
Rot. Bonds6

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

N'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 71463222) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is N'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID71463222
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC NameN'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1ccc(-c2c(C)nn3c(N(C)CCCN(C)C)cc(C)nc23)cc1
InChIInChI=1S/C21H29N5/c1-15-8-10-18(11-9-15)20-17(3)23-26-19(14-16(2)22-21(20)26)25(6)13-7-12-24(4)5/h8-11,14H,7,12-13H2,1-6H3
InChIKeyQUWCAAFHVKRTRL-UHFFFAOYSA-N
XLogP3.71
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 71463222) is N'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-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,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1ccc(-c2c(C)nn3c(N(C)CCCN(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,N'-trimethylpropane-1,3-diamine?
The InChIKey is QUWCAAFHVKRTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-15-8-10-18(11-9-15)20-17(3)23-26-19(14-16(2)22-21(20)26)25(6)13-7-12-24(4)5/h8-11,14H,7,12-13H2,1-6H3.
What are the key properties of N'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 351.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 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,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 71463222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).