5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H16N4O — CID 3113009

IUPAC5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C12H16N4O/c1-4-5-13-12(17)10-7-14-16-9(3)6-8(2)15-11(10)16/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyIXZHMAONZIWGIZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.49
Rot. Bonds3

About 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3113009) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3113009
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C12H16N4O/c1-4-5-13-12(17)10-7-14-16-9(3)6-8(2)15-11(10)16/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyIXZHMAONZIWGIZ-UHFFFAOYSA-N
XLogP1.49
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3113009) is 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCNC(=O)c1cnn2c(C)cc(C)nc12.
What is the InChIKey of 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IXZHMAONZIWGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-5-13-12(17)10-7-14-16-9(3)6-8(2)15-11(10)16/h6-7H,4-5H2,1-3H3,(H,13,17).
What are the key properties of 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3113009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).