N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide

C12H12F3N5O2S — CID 175263598

IUPACN,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide
SMILESCN(C)C=NS(=O)(=O)c1cccnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H12F3N5O2S/c1-19(2)8-18-23(21,22)10-4-3-5-16-11(10)20-7-9(6-17-20)12(13,14)15/h3-8H,1-2H3
InChIKeyFZJBMWFGCBHQSZ-UHFFFAOYSA-N
MW347.32 g/mol
LogP1.56
Rot. Bonds4

About N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide

N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide (PubChem CID 175263598) has the molecular formula C12H12F3N5O2S and a molecular weight of 347.32 g/mol. Its IUPAC name is N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide
PubChem CID175263598
Molecular FormulaC12H12F3N5O2S
Molecular Weight347.32 g/mol
Exact Mass347.07
IUPAC NameN,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide
SMILESCN(C)C=NS(=O)(=O)c1cccnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H12F3N5O2S/c1-19(2)8-18-23(21,22)10-4-3-5-16-11(10)20-7-9(6-17-20)12(13,14)15/h3-8H,1-2H3
InChIKeyFZJBMWFGCBHQSZ-UHFFFAOYSA-N
XLogP1.56
TPSA80.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide (CID 175263598) is N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide is CN(C)C=NS(=O)(=O)c1cccnc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide?
The InChIKey is FZJBMWFGCBHQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2S/c1-19(2)8-18-23(21,22)10-4-3-5-16-11(10)20-7-9(6-17-20)12(13,14)15/h3-8H,1-2H3.
What are the key properties of N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide?
N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide has a molecular weight of 347.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide is sourced from PubChem (CID 175263598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).