ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate

C9H10N4O2 — CID 91629121

IUPACethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate
SMILESCCOC(=O)Nc1cnc2ccnn2c1
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)12-7-5-10-8-3-4-11-13(8)6-7/h3-6H,2H2,1H3,(H,12,14)
InChIKeySHEIHZABFJNKNX-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.30
Rot. Bonds2

About ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate

ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate (PubChem CID 91629121) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate.

Molecular Properties

Compound Nameethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate
PubChem CID91629121
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Nameethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate
SMILESCCOC(=O)Nc1cnc2ccnn2c1
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)12-7-5-10-8-3-4-11-13(8)6-7/h3-6H,2H2,1H3,(H,12,14)
InChIKeySHEIHZABFJNKNX-UHFFFAOYSA-N
XLogP1.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate?
The IUPAC name of ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate (CID 91629121) is ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate.
What is the SMILES notation for ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate?
The canonical SMILES for ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate is CCOC(=O)Nc1cnc2ccnn2c1.
What is the InChIKey of ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate?
The InChIKey is SHEIHZABFJNKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-9(14)12-7-5-10-8-3-4-11-13(8)6-7/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate?
ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate has a molecular weight of 206.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-pyrazolo[1,5-a]pyrimidin-6-ylcarbamate is sourced from PubChem (CID 91629121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).