tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

C18H26N4O2 — CID 91051253

IUPACtert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
SMILESCc1cc(C2CCC(C(=O)OC(C)(C)C)N(C)C2)nc2ccnn12
InChIInChI=1S/C18H26N4O2/c1-12-10-14(20-16-8-9-19-22(12)16)13-6-7-15(21(5)11-13)17(23)24-18(2,3)4/h8-10,13,15H,6-7,11H2,1-5H3
InChIKeyLRDBQPCFEDUNJT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.56
Rot. Bonds2

About tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (PubChem CID 91051253) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
PubChem CID91051253
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nametert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
SMILESCc1cc(C2CCC(C(=O)OC(C)(C)C)N(C)C2)nc2ccnn12
InChIInChI=1S/C18H26N4O2/c1-12-10-14(20-16-8-9-19-22(12)16)13-6-7-15(21(5)11-13)17(23)24-18(2,3)4/h8-10,13,15H,6-7,11H2,1-5H3
InChIKeyLRDBQPCFEDUNJT-UHFFFAOYSA-N
XLogP2.56
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The IUPAC name of tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (CID 91051253) is tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is Cc1cc(C2CCC(C(=O)OC(C)(C)C)N(C)C2)nc2ccnn12.
What is the InChIKey of tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The InChIKey is LRDBQPCFEDUNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-10-14(20-16-8-9-19-22(12)16)13-6-7-15(21(5)11-13)17(23)24-18(2,3)4/h8-10,13,15H,6-7,11H2,1-5H3.
What are the key properties of tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is sourced from PubChem (CID 91051253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).