tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane

C19H29ClN4O2 — CID 143439838

IUPACtert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane
SMILESCC.Cc1cnn2c(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc12
InChIInChI=1S/C17H23ClN4O2.C2H6/c1-11-9-19-22-14(18)8-13(20-15(11)22)12-6-5-7-21(10-12)16(23)24-17(2,3)4;1-2/h8-9,12H,5-7,10H2,1-4H3;1-2H3
InChIKeyZPFIZMNRDKJMJA-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.83
Rot. Bonds1

About tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane

tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane (PubChem CID 143439838) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane
PubChem CID143439838
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Nametert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane
SMILESCC.Cc1cnn2c(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc12
InChIInChI=1S/C17H23ClN4O2.C2H6/c1-11-9-19-22-14(18)8-13(20-15(11)22)12-6-5-7-21(10-12)16(23)24-17(2,3)4;1-2/h8-9,12H,5-7,10H2,1-4H3;1-2H3
InChIKeyZPFIZMNRDKJMJA-UHFFFAOYSA-N
XLogP4.83
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane (CID 143439838) is tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane is CC.Cc1cnn2c(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc12.
What is the InChIKey of tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane?
The InChIKey is ZPFIZMNRDKJMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2.C2H6/c1-11-9-19-22-14(18)8-13(20-15(11)22)12-6-5-7-21(10-12)16(23)24-17(2,3)4;1-2/h8-9,12H,5-7,10H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane?
tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane has a molecular weight of 380.92 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(7-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 143439838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).