(5-aminopyrazol-1-yl) carbamate

C4H6N4O2 — CID 67140993

IUPAC(5-aminopyrazol-1-yl) carbamate
SMILESNC(=O)On1nccc1N
InChIInChI=1S/C4H6N4O2/c5-3-1-2-7-8(3)10-4(6)9/h1-2H,5H2,(H2,6,9)
InChIKeyQEHLKDZALDFRJI-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.03
Rot. Bonds1

About (5-aminopyrazol-1-yl) carbamate

(5-aminopyrazol-1-yl) carbamate (PubChem CID 67140993) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is (5-aminopyrazol-1-yl) carbamate.

Molecular Properties

Compound Name(5-aminopyrazol-1-yl) carbamate
PubChem CID67140993
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name(5-aminopyrazol-1-yl) carbamate
SMILESNC(=O)On1nccc1N
InChIInChI=1S/C4H6N4O2/c5-3-1-2-7-8(3)10-4(6)9/h1-2H,5H2,(H2,6,9)
InChIKeyQEHLKDZALDFRJI-UHFFFAOYSA-N
XLogP-1.03
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazol-1-yl) carbamate?
The IUPAC name of (5-aminopyrazol-1-yl) carbamate (CID 67140993) is (5-aminopyrazol-1-yl) carbamate.
What is the SMILES notation for (5-aminopyrazol-1-yl) carbamate?
The canonical SMILES for (5-aminopyrazol-1-yl) carbamate is NC(=O)On1nccc1N.
What is the InChIKey of (5-aminopyrazol-1-yl) carbamate?
The InChIKey is QEHLKDZALDFRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-3-1-2-7-8(3)10-4(6)9/h1-2H,5H2,(H2,6,9).
What are the key properties of (5-aminopyrazol-1-yl) carbamate?
(5-aminopyrazol-1-yl) carbamate has a molecular weight of 142.12 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazol-1-yl) carbamate is sourced from PubChem (CID 67140993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).