methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate

C8H8N4O2 — CID 141302541

IUPACmethyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate
SMILESCOC(=O)Nc1ccn2nccc2n1
InChIInChI=1S/C8H8N4O2/c1-14-8(13)11-6-3-5-12-7(10-6)2-4-9-12/h2-5H,1H3,(H,10,11,13)
InChIKeyWQZKRXZLKIHNIC-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.91
Rot. Bonds1

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

methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate (PubChem CID 141302541) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate.

Molecular Properties

Compound Namemethyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate
PubChem CID141302541
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate
SMILESCOC(=O)Nc1ccn2nccc2n1
InChIInChI=1S/C8H8N4O2/c1-14-8(13)11-6-3-5-12-7(10-6)2-4-9-12/h2-5H,1H3,(H,10,11,13)
InChIKeyWQZKRXZLKIHNIC-UHFFFAOYSA-N
XLogP0.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate?
The IUPAC name of methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate (CID 141302541) is methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate.
What is the SMILES notation for methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate?
The canonical SMILES for methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate is COC(=O)Nc1ccn2nccc2n1.
What is the InChIKey of methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate?
The InChIKey is WQZKRXZLKIHNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-8(13)11-6-3-5-12-7(10-6)2-4-9-12/h2-5H,1H3,(H,10,11,13).
What are the key properties of methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate?
methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate has a molecular weight of 192.18 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-pyrazolo[1,5-a]pyrimidin-5-ylcarbamate is sourced from PubChem (CID 141302541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).