2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C12H16N4O — CID 60714222

IUPAC2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC(C)C)c(C)n2n1
InChIInChI=1S/C12H16N4O/c1-7(2)14-12(17)10-6-13-11-5-8(3)15-16(11)9(10)4/h5-7H,1-4H3,(H,14,17)
InChIKeyNYPKZBYTCYQFJJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.48
Rot. Bonds2

About 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 60714222) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID60714222
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC(C)C)c(C)n2n1
InChIInChI=1S/C12H16N4O/c1-7(2)14-12(17)10-6-13-11-5-8(3)15-16(11)9(10)4/h5-7H,1-4H3,(H,14,17)
InChIKeyNYPKZBYTCYQFJJ-UHFFFAOYSA-N
XLogP1.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 60714222) is 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NC(C)C)c(C)n2n1.
What is the InChIKey of 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NYPKZBYTCYQFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7(2)14-12(17)10-6-13-11-5-8(3)15-16(11)9(10)4/h5-7H,1-4H3,(H,14,17).
What are the key properties of 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 60714222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).