N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C12H16N4O — CID 146152834

IUPACN,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cc(C)n2ncc(C(C)C)c2n1
InChIInChI=1S/C12H16N4O/c1-7(2)9-6-14-16-8(3)5-10(12(17)13-4)15-11(9)16/h5-7H,1-4H3,(H,13,17)
InChIKeyKBKMTYRPQOGKFK-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.52
Rot. Bonds2

About N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 146152834) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID146152834
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cc(C)n2ncc(C(C)C)c2n1
InChIInChI=1S/C12H16N4O/c1-7(2)9-6-14-16-8(3)5-10(12(17)13-4)15-11(9)16/h5-7H,1-4H3,(H,13,17)
InChIKeyKBKMTYRPQOGKFK-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 146152834) is N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CNC(=O)c1cc(C)n2ncc(C(C)C)c2n1.
What is the InChIKey of N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is KBKMTYRPQOGKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7(2)9-6-14-16-8(3)5-10(12(17)13-4)15-11(9)16/h5-7H,1-4H3,(H,13,17).
What are the key properties of N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 146152834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).