ethyl 2-ethylpyrazole-3-carboximidate

C8H13N3O — CID 114557122

IUPACethyl 2-ethylpyrazole-3-carboximidate
SMILES[H]/N=C(\OCC)c1ccnn1CC
InChIInChI=1S/C8H13N3O/c1-3-11-7(5-6-10-11)8(9)12-4-2/h5-6,9H,3-4H2,1-2H3/b9-8-
InChIKeyNIFBRRABGGUEOC-HJWRWDBZSA-N
MW167.21 g/mol
LogP1.26
Rot. Bonds3

About ethyl 2-ethylpyrazole-3-carboximidate

ethyl 2-ethylpyrazole-3-carboximidate (PubChem CID 114557122) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is ethyl 2-ethylpyrazole-3-carboximidate.

Molecular Properties

Compound Nameethyl 2-ethylpyrazole-3-carboximidate
PubChem CID114557122
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Nameethyl 2-ethylpyrazole-3-carboximidate
SMILES[H]/N=C(\OCC)c1ccnn1CC
InChIInChI=1S/C8H13N3O/c1-3-11-7(5-6-10-11)8(9)12-4-2/h5-6,9H,3-4H2,1-2H3/b9-8-
InChIKeyNIFBRRABGGUEOC-HJWRWDBZSA-N
XLogP1.26
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1-methyl-1H-pyrazol-5-yl)methanol
CID 11815316
(1-ethyl-1H-pyrazol-3-yl)methanol
CID 22287713
3-(methoxymethyl)-1-methyl-1H-pyrazol-4-amine
CID 55284554
2-(1-methyl-1H-pyrazol-5-yl)morpholine
CID 82597431
(2-Butyl-2H-Pyrazol-3-Yl)-Methanol
CID 86767428
4-bromo-5-(methoxymethyl)-1-methyl-1H-pyrazole
CID 89995604
4H,6H,7H-pyrazolo(3,2-c)(1,4)oxazin-3-amine
CID 105428021
(1-propyl-1H-pyrazol-3-yl)methanol
CID 23006139
4-iodo-5-(methoxymethyl)-1-methyl-1H-pyrazole
CID 122170948
3-(methoxymethyl)-1-methyl-1H-pyrazol-4-amine dihydrochloride
CID 137942940
4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine
CID 13913100
1-Methylpyrazole-5-aldehyde diethyl acetal
CID 15533127

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylpyrazole-3-carboximidate?
The IUPAC name of ethyl 2-ethylpyrazole-3-carboximidate (CID 114557122) is ethyl 2-ethylpyrazole-3-carboximidate.
What is the SMILES notation for ethyl 2-ethylpyrazole-3-carboximidate?
The canonical SMILES for ethyl 2-ethylpyrazole-3-carboximidate is [H]/N=C(\OCC)c1ccnn1CC.
What is the InChIKey of ethyl 2-ethylpyrazole-3-carboximidate?
The InChIKey is NIFBRRABGGUEOC-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-11-7(5-6-10-11)8(9)12-4-2/h5-6,9H,3-4H2,1-2H3/b9-8-.
What are the key properties of ethyl 2-ethylpyrazole-3-carboximidate?
ethyl 2-ethylpyrazole-3-carboximidate has a molecular weight of 167.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylpyrazole-3-carboximidate is sourced from PubChem (CID 114557122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).