tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

C15H20ClN3O2 — CID 159288177

IUPACtert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCC(C)c1c(CC(=O)OC(C)(C)C)cnc2cc(Cl)nn12
InChIInChI=1S/C15H20ClN3O2/c1-9(2)14-10(6-13(20)21-15(3,4)5)8-17-12-7-11(16)18-19(12)14/h7-9H,6H2,1-5H3
InChIKeyRQCXDPVINUHDIF-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 159288177) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID159288177
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Nametert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCC(C)c1c(CC(=O)OC(C)(C)C)cnc2cc(Cl)nn12
InChIInChI=1S/C15H20ClN3O2/c1-9(2)14-10(6-13(20)21-15(3,4)5)8-17-12-7-11(16)18-19(12)14/h7-9H,6H2,1-5H3
InChIKeyRQCXDPVINUHDIF-UHFFFAOYSA-N
XLogP3.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 142343536
tert-butyl N-[2-[[5-chloro-3-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]carbamate
CID 139433341
tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate
CID 149020949
tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate
CID 101236450
tert-butyl N-[1-[2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-N-methylcarbamate
CID 166112667
tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate
CID 131734298
2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 118540100
tert-butyl N-[[1-[3-chloro-5-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]pyrazol-4-yl]methyl]carbamate
CID 139441468
1-[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-(trifluoromethyl)pyridazin-3-yl]urea
CID 137357773
6-[[5-chloro-3-[3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-2-pyridinyl]oxy]-1-(2-propoxyethoxy)hexan-3-one
CID 157145196
7-[(1S)-1-[(3R)-1-acetylpyrrolidin-3-yl]oxyethyl]-2-chloropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 129117149
tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 129072396

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 159288177) is tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is CC(C)c1c(CC(=O)OC(C)(C)C)cnc2cc(Cl)nn12.
What is the InChIKey of tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is RQCXDPVINUHDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9(2)14-10(6-13(20)21-15(3,4)5)8-17-12-7-11(16)18-19(12)14/h7-9H,6H2,1-5H3.
What are the key properties of tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 309.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 159288177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).