tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate

C19H26N4O3 — CID 167436132

IUPACtert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCC(=O)c1c(C)nn2c(C3CCCN(C(=O)OC(C)(C)C)C3)ccnc12
InChIInChI=1S/C19H26N4O3/c1-12-16(13(2)24)17-20-9-8-15(23(17)21-12)14-7-6-10-22(11-14)18(25)26-19(3,4)5/h8-9,14H,6-7,10-11H2,1-5H3
InChIKeyDFDNJMKFNDWBGZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.35
Rot. Bonds2

About tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate

tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (PubChem CID 167436132) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
PubChem CID167436132
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nametert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCC(=O)c1c(C)nn2c(C3CCCN(C(=O)OC(C)(C)C)C3)ccnc12
InChIInChI=1S/C19H26N4O3/c1-12-16(13(2)24)17-20-9-8-15(23(17)21-12)14-7-6-10-22(11-14)18(25)26-19(3,4)5/h8-9,14H,6-7,10-11H2,1-5H3
InChIKeyDFDNJMKFNDWBGZ-UHFFFAOYSA-N
XLogP3.35
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (CID 167436132) is tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is CC(=O)c1c(C)nn2c(C3CCCN(C(=O)OC(C)(C)C)C3)ccnc12.
What is the InChIKey of tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The InChIKey is DFDNJMKFNDWBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-16(13(2)24)17-20-9-8-15(23(17)21-12)14-7-6-10-22(11-14)18(25)26-19(3,4)5/h8-9,14H,6-7,10-11H2,1-5H3.
What are the key properties of tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is sourced from PubChem (CID 167436132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).