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

C12H16N4O — CID 1097803

IUPAC5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NC(C)C)c2n1
InChIInChI=1S/C12H16N4O/c1-7(2)14-12(17)10-6-13-16-9(4)5-8(3)15-11(10)16/h5-7H,1-4H3,(H,14,17)
InChIKeyHMIGLJHJZOAEQL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.48
Rot. Bonds2

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

5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1097803) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1097803
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NC(C)C)c2n1
InChIInChI=1S/C12H16N4O/c1-7(2)14-12(17)10-6-13-16-9(4)5-8(3)15-11(10)16/h5-7H,1-4H3,(H,14,17)
InChIKeyHMIGLJHJZOAEQL-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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Related Compounds

Anagliptin
CID 44513473
1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 639252
5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 744038
Anagliptin hydrochloride
CID 54764334
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl](piperidin-1-yl)methanone
CID 1093978
N-isobutyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821351
N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969631
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
5,7-Dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid benzylamide
CID 755926
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
1-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-4-piperidinecarboxamide
CID 969761

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1097803) is 5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NC(C)C)c2n1.
What is the InChIKey of 5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HMIGLJHJZOAEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7(2)14-12(17)10-6-13-16-9(4)5-8(3)15-11(10)16/h5-7H,1-4H3,(H,14,17).
What are the key properties of 5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-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 5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1097803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).