tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C14H18ClN3O2 — CID 142343536

IUPACtert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCC(C)c1c(C(=O)OC(C)(C)C)cnc2cc(Cl)nn12
InChIInChI=1S/C14H18ClN3O2/c1-8(2)12-9(13(19)20-14(3,4)5)7-16-11-6-10(15)17-18(11)12/h6-8H,1-5H3
InChIKeyHISUUWRPFYRDFG-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.46
Rot. Bonds2

About tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 142343536) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID142343536
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Nametert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCC(C)c1c(C(=O)OC(C)(C)C)cnc2cc(Cl)nn12
InChIInChI=1S/C14H18ClN3O2/c1-8(2)12-9(13(19)20-14(3,4)5)7-16-11-6-10(15)17-18(11)12/h6-8H,1-5H3
InChIKeyHISUUWRPFYRDFG-UHFFFAOYSA-N
XLogP3.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 159288177
tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 129072396
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939
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-[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-amino-7-(1-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 163259780
tert-butyl 2-chloro-5-(methylcarbamoyl)pyridine-4-carboxylate
CID 167022667
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
7-[(1S)-1-[(3R)-1-acetylpyrrolidin-3-yl]oxyethyl]-2-chloropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 129117149
7-[(1S)-1-[(3S)-1-acetylpyrrolidin-3-yl]oxyethyl]-2-chloropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 129117270
tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate
CID 101236450
tert-butyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 172818314

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 142343536) is tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CC(C)c1c(C(=O)OC(C)(C)C)cnc2cc(Cl)nn12.
What is the InChIKey of tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is HISUUWRPFYRDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8(2)12-9(13(19)20-14(3,4)5)7-16-11-6-10(15)17-18(11)12/h6-8H,1-5H3.
What are the key properties of tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 295.77 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 142343536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).