methyl 2-pyrazol-1-ylethanimidate

C6H9N3O — CID 121211993

IUPACmethyl 2-pyrazol-1-ylethanimidate
SMILES[H]/N=C(/Cn1cccn1)OC
InChIInChI=1S/C6H9N3O/c1-10-6(7)5-9-4-2-3-8-9/h2-4,7H,5H2,1H3/b7-6-
InChIKeyWBTKEYOICGILNI-SREVYHEPSA-N
MW139.16 g/mol
LogP0.51
Rot. Bonds2

About methyl 2-pyrazol-1-ylethanimidate

methyl 2-pyrazol-1-ylethanimidate (PubChem CID 121211993) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is methyl 2-pyrazol-1-ylethanimidate.

Molecular Properties

Compound Namemethyl 2-pyrazol-1-ylethanimidate
PubChem CID121211993
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Namemethyl 2-pyrazol-1-ylethanimidate
SMILES[H]/N=C(/Cn1cccn1)OC
InChIInChI=1S/C6H9N3O/c1-10-6(7)5-9-4-2-3-8-9/h2-4,7H,5H2,1H3/b7-6-
InChIKeyWBTKEYOICGILNI-SREVYHEPSA-N
XLogP0.51
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.51
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-(2-Hydroxyethyl)-1H-pyrazole
CID 237031
1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
Pyrazol-1-yl-methanol
CID 242224
2-(1H-pyrazol-1-yl)ethan-1-amine
CID 1133022
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
1-(1H-pyrazol-1-yl)propan-2-one
CID 5155003
1-Propyl-1H-pyrazole
CID 12711096
1-isopropyl-1H-pyrazole
CID 13469816
1-(1H-pyrazol-1-yl)propan-2-ol
CID 19621383
1-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 45116728
2-(2-(1H-pyrazol-1-yl)ethoxy)ethan-1-ol
CID 50990682

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrazol-1-ylethanimidate?
The IUPAC name of methyl 2-pyrazol-1-ylethanimidate (CID 121211993) is methyl 2-pyrazol-1-ylethanimidate.
What is the SMILES notation for methyl 2-pyrazol-1-ylethanimidate?
The canonical SMILES for methyl 2-pyrazol-1-ylethanimidate is [H]/N=C(/Cn1cccn1)OC.
What is the InChIKey of methyl 2-pyrazol-1-ylethanimidate?
The InChIKey is WBTKEYOICGILNI-SREVYHEPSA-N. The full InChI is InChI=1S/C6H9N3O/c1-10-6(7)5-9-4-2-3-8-9/h2-4,7H,5H2,1H3/b7-6-.
What are the key properties of methyl 2-pyrazol-1-ylethanimidate?
methyl 2-pyrazol-1-ylethanimidate has a molecular weight of 139.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrazol-1-ylethanimidate is sourced from PubChem (CID 121211993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).