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

C10H16F3N5O2 — CID 107480118

IUPACN'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(CCO)CC(F)(F)F)c1C(N)=NO
InChIInChI=1S/C10H16F3N5O2/c1-6-7(8(14)16-20)9(17(2)15-6)18(3-4-19)5-10(11,12)13/h19-20H,3-5H2,1-2H3,(H2,14,16)
InChIKeyYTWJSJIDIPBLIC-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.18
Rot. Bonds5

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

N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 107480118) has the molecular formula C10H16F3N5O2 and a molecular weight of 295.26 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID107480118
Molecular FormulaC10H16F3N5O2
Molecular Weight295.26 g/mol
Exact Mass295.13
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(CCO)CC(F)(F)F)c1C(N)=NO
InChIInChI=1S/C10H16F3N5O2/c1-6-7(8(14)16-20)9(17(2)15-6)18(3-4-19)5-10(11,12)13/h19-20H,3-5H2,1-2H3,(H2,14,16)
InChIKeyYTWJSJIDIPBLIC-UHFFFAOYSA-N
XLogP0.18
TPSA99.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.18
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (CID 107480118) is N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is Cc1nn(C)c(N(CCO)CC(F)(F)F)c1C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is YTWJSJIDIPBLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O2/c1-6-7(8(14)16-20)9(17(2)15-6)18(3-4-19)5-10(11,12)13/h19-20H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 295.26 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 107480118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).