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

C17H23ClN4O2 — CID 76668456

IUPACtert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCc1cc(Cl)n2nc(C3CCCCN3C(=O)OC(C)(C)C)cc2n1
InChIInChI=1S/C17H23ClN4O2/c1-11-9-14(18)22-15(19-11)10-12(20-22)13-7-5-6-8-21(13)16(23)24-17(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyWBZPYWUAELTLMF-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.15
Rot. Bonds1

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

tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate (PubChem CID 76668456) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
PubChem CID76668456
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Nametert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCc1cc(Cl)n2nc(C3CCCCN3C(=O)OC(C)(C)C)cc2n1
InChIInChI=1S/C17H23ClN4O2/c1-11-9-14(18)22-15(19-11)10-12(20-22)13-7-5-6-8-21(13)16(23)24-17(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyWBZPYWUAELTLMF-UHFFFAOYSA-N
XLogP4.15
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 58029963
tert-butyl (2S)-2-[7-chloro-6-[(1-ethylazetidin-3-yl)methyl]-5-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
CID 126536895
tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
CID 76667892
tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate
CID 121406413
7-chloro-2-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269836
tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
CID 175471053
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine
CID 157399695
tert-butyl (2S)-2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
CID 10084409
tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 86329095
tert-butyl 2-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71634364

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate (CID 76668456) is tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate is Cc1cc(Cl)n2nc(C3CCCCN3C(=O)OC(C)(C)C)cc2n1.
What is the InChIKey of tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The InChIKey is WBZPYWUAELTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-11-9-14(18)22-15(19-11)10-12(20-22)13-7-5-6-8-21(13)16(23)24-17(2,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate has a molecular weight of 350.85 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 76668456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).