4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide

C14H16F2N4O — CID 81286051

IUPAC4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESCCc1c(C)nn(-c2c(F)cc(C(N)=NO)cc2F)c1C
InChIInChI=1S/C14H16F2N4O/c1-4-10-7(2)18-20(8(10)3)13-11(15)5-9(6-12(13)16)14(17)19-21/h5-6,21H,4H2,1-3H3,(H2,17,19)
InChIKeyXYRNATVMKSXMTD-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.42
Rot. Bonds3

About 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 81286051) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
PubChem CID81286051
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESCCc1c(C)nn(-c2c(F)cc(C(N)=NO)cc2F)c1C
InChIInChI=1S/C14H16F2N4O/c1-4-10-7(2)18-20(8(10)3)13-11(15)5-9(6-12(13)16)14(17)19-21/h5-6,21H,4H2,1-3H3,(H2,17,19)
InChIKeyXYRNATVMKSXMTD-UHFFFAOYSA-N
XLogP2.42
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938898
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluorobenzonitrile
CID 81283123
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76981750
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 61238154
5-bromo-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-fluoroaniline
CID 66112125
(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 55189262
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 61237598
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-fluorobenzenecarbothioamide
CID 61237223
1-[3-bromo-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 55131104
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 61237972
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide
CID 61312649
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 79168257

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (CID 81286051) is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is CCc1c(C)nn(-c2c(F)cc(C(N)=NO)cc2F)c1C.
What is the InChIKey of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is XYRNATVMKSXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-4-10-7(2)18-20(8(10)3)13-11(15)5-9(6-12(13)16)14(17)19-21/h5-6,21H,4H2,1-3H3,(H2,17,19).
What are the key properties of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 294.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81286051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).