propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C16H22N4O3 — CID 137018304

IUPACpropan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)OC(C)C
InChIInChI=1S/C16H22N4O3/c1-9(2)23-16(22)14-10(3)19-20-12(8-13(21)18-15(14)20)11-4-6-17-7-5-11/h8-9,11,17H,4-7H2,1-3H3,(H,18,21)
InChIKeyZLJKEPAKBQUWGJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.36
Rot. Bonds3

About propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137018304) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137018304
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Namepropan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)OC(C)C
InChIInChI=1S/C16H22N4O3/c1-9(2)23-16(22)14-10(3)19-20-12(8-13(21)18-15(14)20)11-4-6-17-7-5-11/h8-9,11,17H,4-7H2,1-3H3,(H,18,21)
InChIKeyZLJKEPAKBQUWGJ-UHFFFAOYSA-N
XLogP1.36
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137018304) is propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ZLJKEPAKBQUWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-9(2)23-16(22)14-10(3)19-20-12(8-13(21)18-15(14)20)11-4-6-17-7-5-11/h8-9,11,17H,4-7H2,1-3H3,(H,18,21).
What are the key properties of propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137018304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).