2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate

C8H13N3O3 — CID 69216275

IUPAC2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate
SMILESCCc1c(CCOC(N)=O)[nH][nH]c1=O
InChIInChI=1S/C8H13N3O3/c1-2-5-6(10-11-7(5)12)3-4-14-8(9)13/h2-4H2,1H3,(H2,9,13)(H2,10,11,12)
InChIKeyBZIZLZNGIZSMBD-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.10
Rot. Bonds4

About 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate

2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate (PubChem CID 69216275) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate
PubChem CID69216275
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate
SMILESCCc1c(CCOC(N)=O)[nH][nH]c1=O
InChIInChI=1S/C8H13N3O3/c1-2-5-6(10-11-7(5)12)3-4-14-8(9)13/h2-4H2,1H3,(H2,9,13)(H2,10,11,12)
InChIKeyBZIZLZNGIZSMBD-UHFFFAOYSA-N
XLogP-0.10
TPSA100.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate?
The IUPAC name of 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate (CID 69216275) is 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate.
What is the SMILES notation for 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate?
The canonical SMILES for 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate is CCc1c(CCOC(N)=O)[nH][nH]c1=O.
What is the InChIKey of 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate?
The InChIKey is BZIZLZNGIZSMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-5-6(10-11-7(5)12)3-4-14-8(9)13/h2-4H2,1H3,(H2,9,13)(H2,10,11,12).
What are the key properties of 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate?
2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate has a molecular weight of 199.21 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-oxo-1,2-dihydropyrazol-3-yl)ethyl carbamate is sourced from PubChem (CID 69216275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).