1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate

C7H9FN3O- — CID 169217984

IUPAC1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate
SMILES[H]/N=C(\[O-])c1cnn(CCF)c1C
InChIInChI=1S/C7H10FN3O/c1-5-6(7(9)12)4-10-11(5)3-2-8/h4H,2-3H2,1H3,(H2,9,12)/p-1
InChIKeyJJIKVRLTTZRRQQ-UHFFFAOYSA-M
MW170.17 g/mol
LogP-0.15
Rot. Bonds3

About 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate

1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate (PubChem CID 169217984) has the molecular formula C7H9FN3O- and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate
PubChem CID169217984
Molecular FormulaC7H9FN3O-
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate
SMILES[H]/N=C(\[O-])c1cnn(CCF)c1C
InChIInChI=1S/C7H10FN3O/c1-5-6(7(9)12)4-10-11(5)3-2-8/h4H,2-3H2,1H3,(H2,9,12)/p-1
InChIKeyJJIKVRLTTZRRQQ-UHFFFAOYSA-M
XLogP-0.15
TPSA64.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.15
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-(3-fluoropropyl)-5-methylpyrazole-4-carboxylic acid
CID 81113615
5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 175848661
3-(4-acetyl-5-methylpyrazol-1-yl)propanenitrile
CID 43364145
2-(4,5-dimethylpyrazol-1-yl)ethanol
CID 58514590
5-methyl-1-(4,4,4-trifluorobutyl)pyrazole-4-carboxylic acid
CID 115514373
2-[[[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]amino]methyl]phenol;hydrochloride
CID 126964065
1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
CID 126965034
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide
CID 63695465
1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine
CID 122169037
ethyl 5-methyl-1-(3-methylbutyl)pyrazole-4-carboxylate
CID 63235032
2-(4-bromo-5-methylpyrazol-1-yl)acetate
CID 7015020

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate?
The IUPAC name of 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate (CID 169217984) is 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate.
What is the SMILES notation for 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate?
The canonical SMILES for 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate is [H]/N=C(\[O-])c1cnn(CCF)c1C.
What is the InChIKey of 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate?
The InChIKey is JJIKVRLTTZRRQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10FN3O/c1-5-6(7(9)12)4-10-11(5)3-2-8/h4H,2-3H2,1H3,(H2,9,12)/p-1.
What are the key properties of 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate?
1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate has a molecular weight of 170.17 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-methylpyrazole-4-carboximidate is sourced from PubChem (CID 169217984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).