tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate

C11H14N4O3 — CID 171775901

IUPACtert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn2c(=O)[nH]ccc12
InChIInChI=1S/C11H14N4O3/c1-11(2,3)18-10(17)14-7-6-13-15-8(7)4-5-12-9(15)16/h4-6H,1-3H3,(H,12,16)(H,14,17)
InChIKeyXYKGSGFQQNJHKN-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.37
Rot. Bonds1

About tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate

tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate (PubChem CID 171775901) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate
PubChem CID171775901
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Nametert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn2c(=O)[nH]ccc12
InChIInChI=1S/C11H14N4O3/c1-11(2,3)18-10(17)14-7-6-13-15-8(7)4-5-12-9(15)16/h4-6H,1-3H3,(H,12,16)(H,14,17)
InChIKeyXYKGSGFQQNJHKN-UHFFFAOYSA-N
XLogP1.37
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide
CID 175588251
tert-butyl N-(6-bromopyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 137347375
tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
CID 118622100
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
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tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane
CID 142427527
tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate
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tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384262

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate (CID 171775901) is tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate is CC(C)(C)OC(=O)Nc1cnn2c(=O)[nH]ccc12.
What is the InChIKey of tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate?
The InChIKey is XYKGSGFQQNJHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-11(2,3)18-10(17)14-7-6-13-15-8(7)4-5-12-9(15)16/h4-6H,1-3H3,(H,12,16)(H,14,17).
What are the key properties of tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate?
tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate has a molecular weight of 250.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate is sourced from PubChem (CID 171775901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).