5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

C10H17F2N5O2 — CID 107480080

IUPAC5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(CCO)CC(F)F)c1C(N)=NO
InChIInChI=1S/C10H17F2N5O2/c1-6-8(9(13)15-19)10(16(2)14-6)17(3-4-18)5-7(11)12/h7,18-19H,3-5H2,1-2H3,(H2,13,15)
InChIKeyORTRLKOZXVPMSI-UHFFFAOYSA-N
MW277.27 g/mol
LogP-0.11
Rot. Bonds6

About 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 107480080) has the molecular formula C10H17F2N5O2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID107480080
Molecular FormulaC10H17F2N5O2
Molecular Weight277.27 g/mol
Exact Mass277.14
IUPAC Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(CCO)CC(F)F)c1C(N)=NO
InChIInChI=1S/C10H17F2N5O2/c1-6-8(9(13)15-19)10(16(2)14-6)17(3-4-18)5-7(11)12/h7,18-19H,3-5H2,1-2H3,(H2,13,15)
InChIKeyORTRLKOZXVPMSI-UHFFFAOYSA-N
XLogP-0.11
TPSA99.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 1485639
1-Butyl-3-[2-(2-hydroxyethyl)-4,5-dimethylpyrazol-3-yl]urea
CID 71907571
3-[5-Amino-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 152009278
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008674
1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008876
4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008928
N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009217
N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009264
[5-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 55010533
[1,3-Dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
CID 55010682
[1,3-Dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
CID 55010925
N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
CID 55046506

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 107480080) is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is Cc1nn(C)c(N(CCO)CC(F)F)c1C(N)=NO.
What is the InChIKey of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is ORTRLKOZXVPMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N5O2/c1-6-8(9(13)15-19)10(16(2)14-6)17(3-4-18)5-7(11)12/h7,18-19H,3-5H2,1-2H3,(H2,13,15).
What are the key properties of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 277.27 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 107480080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).