5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

C12H16N4O2 — CID 20789834

IUPAC5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc2cc(C(=O)NC(C)C)[nH]n2c(=O)c1C
InChIInChI=1S/C12H16N4O2/c1-6(2)13-11(17)9-5-10-14-8(4)7(3)12(18)16(10)15-9/h5-6,15H,1-4H3,(H,13,17)
InChIKeyGXWUZAGCMKPGQY-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.78
Rot. Bonds2

About 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 20789834) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID20789834
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc2cc(C(=O)NC(C)C)[nH]n2c(=O)c1C
InChIInChI=1S/C12H16N4O2/c1-6(2)13-11(17)9-5-10-14-8(4)7(3)12(18)16(10)15-9/h5-6,15H,1-4H3,(H,13,17)
InChIKeyGXWUZAGCMKPGQY-UHFFFAOYSA-N
XLogP0.78
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 20789834) is 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nc2cc(C(=O)NC(C)C)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GXWUZAGCMKPGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-6(2)13-11(17)9-5-10-14-8(4)7(3)12(18)16(10)15-9/h5-6,15H,1-4H3,(H,13,17).
What are the key properties of 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 20789834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).