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

Name: Tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₄N₄O₃ — CID 171775901

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate
PubChem CID	171775901
Molecular Formula	C₁₁H₁₄N₄O₃
Molecular Weight	250.26 g/mol
Exact Mass	250.11
IUPAC Name	tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate
SMILES	CC(C)(C)OC(=O)Nc1cnn2c(=O)[nH]ccc12
InChI	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)
InChIKey	XYKGSGFQQNJHKN-UHFFFAOYSA-N
XLogP	1.37
TPSA	88.49 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	1
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.26
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 171775901 — identifiers, structure, computed properties (public domain)

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