tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

C16H22N4O3 — CID 91191786

IUPACtert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(c2cc(=O)n3[nH]ccc3n2)CN1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)11-5-4-10(9-17-11)12-8-14(21)20-13(19-12)6-7-18-20/h6-8,10-11,17-18H,4-5,9H2,1-3H3
InChIKeyZDDFTQAZSZINDA-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.20
Rot. Bonds2

About tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (PubChem CID 91191786) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
PubChem CID91191786
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nametert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(c2cc(=O)n3[nH]ccc3n2)CN1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)11-5-4-10(9-17-11)12-8-14(21)20-13(19-12)6-7-18-20/h6-8,10-11,17-18H,4-5,9H2,1-3H3
InChIKeyZDDFTQAZSZINDA-UHFFFAOYSA-N
XLogP1.20
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;tert-butyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
CID 158252625
5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115030706
tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-1-carboxylate;tert-butyl 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-1-carboxylate
CID 159922553
5-(thian-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66896766
methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
CID 158724030
tert-butyl 2-(5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668485
5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172672766
5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132819
5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 171687408
tert-butyl 5-fluoropiperidine-2-carboxylate
CID 57018078
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The IUPAC name of tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (CID 91191786) is tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The canonical SMILES for tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is CC(C)(C)OC(=O)C1CCC(c2cc(=O)n3[nH]ccc3n2)CN1.
What is the InChIKey of tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The InChIKey is ZDDFTQAZSZINDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)11-5-4-10(9-17-11)12-8-14(21)20-13(19-12)6-7-18-20/h6-8,10-11,17-18H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is sourced from PubChem (CID 91191786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).