3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide

C15H22N4O2 — CID 92555688

IUPAC3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide
SMILESCc1cc2nc([C@@H](C)NC(=O)CC(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C15H22N4O2/c1-9-6-12-17-11(7-14(21)19(12)18-9)10(2)16-13(20)8-15(3,4)5/h6-7,10,18H,8H2,1-5H3,(H,16,20)/t10-/m1/s1
InChIKeyWMRHUNXCJMOYBR-SNVBAGLBSA-N
MW290.37 g/mol
LogP1.94
Rot. Bonds3

About 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide

3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide (PubChem CID 92555688) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide
PubChem CID92555688
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide
SMILESCc1cc2nc([C@@H](C)NC(=O)CC(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C15H22N4O2/c1-9-6-12-17-11(7-14(21)19(12)18-9)10(2)16-13(20)8-15(3,4)5/h6-7,10,18H,8H2,1-5H3,(H,16,20)/t10-/m1/s1
InChIKeyWMRHUNXCJMOYBR-SNVBAGLBSA-N
XLogP1.94
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide (CID 92555688) is 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide is Cc1cc2nc([C@@H](C)NC(=O)CC(C)(C)C)cc(=O)n2[nH]1.
What is the InChIKey of 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide?
The InChIKey is WMRHUNXCJMOYBR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9-6-12-17-11(7-14(21)19(12)18-9)10(2)16-13(20)8-15(3,4)5/h6-7,10,18H,8H2,1-5H3,(H,16,20)/t10-/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide?
3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide has a molecular weight of 290.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide is sourced from PubChem (CID 92555688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).