ethyl formate;methyl N-pyrazol-1-ylcarbamate

C8H13N3O4 — CID 87280485

IUPACethyl formate;methyl N-pyrazol-1-ylcarbamate
SMILESCCOC=O.COC(=O)Nn1cccn1
InChIInChI=1S/C5H7N3O2.C3H6O2/c1-10-5(9)7-8-4-2-3-6-8;1-2-5-3-4/h2-4H,1H3,(H,7,9);3H,2H2,1H3
InChIKeyJTEYWZZDCYHSKI-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.37
Rot. Bonds3

About ethyl formate;methyl N-pyrazol-1-ylcarbamate

ethyl formate;methyl N-pyrazol-1-ylcarbamate (PubChem CID 87280485) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is ethyl formate;methyl N-pyrazol-1-ylcarbamate.

Molecular Properties

Compound Nameethyl formate;methyl N-pyrazol-1-ylcarbamate
PubChem CID87280485
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Nameethyl formate;methyl N-pyrazol-1-ylcarbamate
SMILESCCOC=O.COC(=O)Nn1cccn1
InChIInChI=1S/C5H7N3O2.C3H6O2/c1-10-5(9)7-8-4-2-3-6-8;1-2-5-3-4/h2-4H,1H3,(H,7,9);3H,2H2,1H3
InChIKeyJTEYWZZDCYHSKI-UHFFFAOYSA-N
XLogP0.37
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Pyrazol-1-ylcarbamic acid
CID 21327343
N-(1-methoxyethyl)pyrazol-1-amine
CID 69400900
amino N-pyrazol-1-ylcarbamate
CID 140457610
ethoxycarbonyl(1H-pyrazol-5-yl)tin
CID 141085527
tert-butyl N-pyrazol-1-ylcarbamate
CID 142797613
Pyrazol-1-ylcarbamic acid;hydrochloride
CID 156780950
tert-butyl formate;1H-pyrazole
CID 158639113
ethyl formate;1H-pyrazole
CID 161522273
hexyl formate;1H-pyrazole
CID 174632897
butyl formate;1H-pyrazole
CID 174632916
ethenyl formate;1H-pyrazole
CID 174632917
pentyl formate;1H-pyrazole
CID 174645464

Frequently Asked Questions

What is the IUPAC name of ethyl formate;methyl N-pyrazol-1-ylcarbamate?
The IUPAC name of ethyl formate;methyl N-pyrazol-1-ylcarbamate (CID 87280485) is ethyl formate;methyl N-pyrazol-1-ylcarbamate.
What is the SMILES notation for ethyl formate;methyl N-pyrazol-1-ylcarbamate?
The canonical SMILES for ethyl formate;methyl N-pyrazol-1-ylcarbamate is CCOC=O.COC(=O)Nn1cccn1.
What is the InChIKey of ethyl formate;methyl N-pyrazol-1-ylcarbamate?
The InChIKey is JTEYWZZDCYHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.C3H6O2/c1-10-5(9)7-8-4-2-3-6-8;1-2-5-3-4/h2-4H,1H3,(H,7,9);3H,2H2,1H3.
What are the key properties of ethyl formate;methyl N-pyrazol-1-ylcarbamate?
ethyl formate;methyl N-pyrazol-1-ylcarbamate has a molecular weight of 215.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;methyl N-pyrazol-1-ylcarbamate is sourced from PubChem (CID 87280485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).