2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide

C21H26N4O — CID 19898819

IUPAC2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)nn2cccnc12
InChIInChI=1S/C21H26N4O/c1-4-12-24(13-5-2)19(26)15-18-20(17-9-7-16(3)8-10-17)23-25-14-6-11-22-21(18)25/h6-11,14H,4-5,12-13,15H2,1-3H3
InChIKeyHRDODPMXFXEJEG-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide

2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide (PubChem CID 19898819) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
PubChem CID19898819
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)nn2cccnc12
InChIInChI=1S/C21H26N4O/c1-4-12-24(13-5-2)19(26)15-18-20(17-9-7-16(3)8-10-17)23-25-14-6-11-22-21(18)25/h6-11,14H,4-5,12-13,15H2,1-3H3
InChIKeyHRDODPMXFXEJEG-UHFFFAOYSA-N
XLogP3.90
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide (CID 19898819) is 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)nn2cccnc12.
What is the InChIKey of 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide?
The InChIKey is HRDODPMXFXEJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-4-12-24(13-5-2)19(26)15-18-20(17-9-7-16(3)8-10-17)23-25-14-6-11-22-21(18)25/h6-11,14H,4-5,12-13,15H2,1-3H3.
What are the key properties of 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide?
2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide has a molecular weight of 350.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 19898819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).