N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide

C7H9F3N4OS — CID 142631946

IUPACN,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide
SMILESCN(C)C=Nc1[nH]ncc1S(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c1-14(2)4-11-6-5(3-12-13-6)16(15)7(8,9)10/h3-4H,1-2H3,(H,12,13)
InChIKeyUORVLJKNUDCDED-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.26
Rot. Bonds3

About N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide

N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide (PubChem CID 142631946) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide
PubChem CID142631946
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC NameN,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide
SMILESCN(C)C=Nc1[nH]ncc1S(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c1-14(2)4-11-6-5(3-12-13-6)16(15)7(8,9)10/h3-4H,1-2H3,(H,12,13)
InChIKeyUORVLJKNUDCDED-UHFFFAOYSA-N
XLogP1.26
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide (CID 142631946) is N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide is CN(C)C=Nc1[nH]ncc1S(=O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide?
The InChIKey is UORVLJKNUDCDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-14(2)4-11-6-5(3-12-13-6)16(15)7(8,9)10/h3-4H,1-2H3,(H,12,13).
What are the key properties of N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide?
N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide has a molecular weight of 254.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide is sourced from PubChem (CID 142631946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).