2-(5-aminopyrazol-1-yl)ethyl carbamate

C6H10N4O2 — CID 22916766

IUPAC2-(5-aminopyrazol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1nccc1N
InChIInChI=1S/C6H10N4O2/c7-5-1-2-9-10(5)3-4-12-6(8)11/h1-2H,3-4,7H2,(H2,8,11)
InChIKeyNQLKGUNXHZFJKE-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.44
Rot. Bonds3

About 2-(5-aminopyrazol-1-yl)ethyl carbamate

2-(5-aminopyrazol-1-yl)ethyl carbamate (PubChem CID 22916766) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(5-aminopyrazol-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(5-aminopyrazol-1-yl)ethyl carbamate
PubChem CID22916766
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-(5-aminopyrazol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1nccc1N
InChIInChI=1S/C6H10N4O2/c7-5-1-2-9-10(5)3-4-12-6(8)11/h1-2H,3-4,7H2,(H2,8,11)
InChIKeyNQLKGUNXHZFJKE-UHFFFAOYSA-N
XLogP-0.44
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrazol-1-yl)ethyl carbamate?
The IUPAC name of 2-(5-aminopyrazol-1-yl)ethyl carbamate (CID 22916766) is 2-(5-aminopyrazol-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(5-aminopyrazol-1-yl)ethyl carbamate?
The canonical SMILES for 2-(5-aminopyrazol-1-yl)ethyl carbamate is NC(=O)OCCn1nccc1N.
What is the InChIKey of 2-(5-aminopyrazol-1-yl)ethyl carbamate?
The InChIKey is NQLKGUNXHZFJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-5-1-2-9-10(5)3-4-12-6(8)11/h1-2H,3-4,7H2,(H2,8,11).
What are the key properties of 2-(5-aminopyrazol-1-yl)ethyl carbamate?
2-(5-aminopyrazol-1-yl)ethyl carbamate has a molecular weight of 170.17 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrazol-1-yl)ethyl carbamate is sourced from PubChem (CID 22916766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).