3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

C19H22N4 — CID 46299369

IUPAC3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2nn3c(N4CCCC4)cc(C)nc3c2C)cc1
InChIInChI=1S/C19H22N4/c1-13-6-8-16(9-7-13)18-15(3)19-20-14(2)12-17(23(19)21-18)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyICAHDNNIDZNULL-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.92
Rot. Bonds2

About 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 46299369) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID46299369
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2nn3c(N4CCCC4)cc(C)nc3c2C)cc1
InChIInChI=1S/C19H22N4/c1-13-6-8-16(9-7-13)18-15(3)19-20-14(2)12-17(23(19)21-18)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyICAHDNNIDZNULL-UHFFFAOYSA-N
XLogP3.92
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 46299369) is 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2nn3c(N4CCCC4)cc(C)nc3c2C)cc1.
What is the InChIKey of 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ICAHDNNIDZNULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13-6-8-16(9-7-13)18-15(3)19-20-14(2)12-17(23(19)21-18)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 306.41 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).