2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C13H18N4O — CID 134793074

IUPAC2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCC(CC)NC(=O)c1cnc2cc(C)nn2c1
InChIInChI=1S/C13H18N4O/c1-4-11(5-2)15-13(18)10-7-14-12-6-9(3)16-17(12)8-10/h6-8,11H,4-5H2,1-3H3,(H,15,18)
InChIKeyZPPOOMWCUAOFNM-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.96
Rot. Bonds4

About 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 134793074) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID134793074
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCC(CC)NC(=O)c1cnc2cc(C)nn2c1
InChIInChI=1S/C13H18N4O/c1-4-11(5-2)15-13(18)10-7-14-12-6-9(3)16-17(12)8-10/h6-8,11H,4-5H2,1-3H3,(H,15,18)
InChIKeyZPPOOMWCUAOFNM-UHFFFAOYSA-N
XLogP1.96
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 134793074) is 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCC(CC)NC(=O)c1cnc2cc(C)nn2c1.
What is the InChIKey of 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZPPOOMWCUAOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-11(5-2)15-13(18)10-7-14-12-6-9(3)16-17(12)8-10/h6-8,11H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 134793074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).