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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Related Compounds

2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 175751887
(1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
CID 114056524
3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
CID 102988586
5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 138559643
N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 173497553
5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 80631790
3-ethylsulfonyl-2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 121485081
6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964811
4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine-5-carboxylic acid
CID 114213803
1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 130500204
2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine
CID 114600203
1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole
CID 118286964

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).