N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C10H11F3N6O3S — CID 167747497

IUPACN-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1cc(S(=O)(=O)NC(=O)c2cc(C(F)(F)F)nn2C)nn1
InChIInChI=1S/C10H11F3N6O3S/c1-3-19-5-8(14-17-19)23(21,22)16-9(20)6-4-7(10(11,12)13)15-18(6)2/h4-5H,3H2,1-2H3,(H,16,20)
InChIKeyCVLSURZPDVTZPR-UHFFFAOYSA-N
MW352.30 g/mol
LogP0.17
Rot. Bonds4

About N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167747497) has the molecular formula C10H11F3N6O3S and a molecular weight of 352.30 g/mol. Its IUPAC name is N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID167747497
Molecular FormulaC10H11F3N6O3S
Molecular Weight352.30 g/mol
Exact Mass352.06
IUPAC NameN-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1cc(S(=O)(=O)NC(=O)c2cc(C(F)(F)F)nn2C)nn1
InChIInChI=1S/C10H11F3N6O3S/c1-3-19-5-8(14-17-19)23(21,22)16-9(20)6-4-7(10(11,12)13)15-18(6)2/h4-5H,3H2,1-2H3,(H,16,20)
InChIKeyCVLSURZPDVTZPR-UHFFFAOYSA-N
XLogP0.17
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477541
N-butyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480290
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
CID 175710616
CID 175710616
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477450
1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177051225
1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477518
1-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35529711
N-(4-acetylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477477
N-[(Z)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 124851664
1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480219
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854597

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 167747497) is N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCn1cc(S(=O)(=O)NC(=O)c2cc(C(F)(F)F)nn2C)nn1.
What is the InChIKey of N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CVLSURZPDVTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O3S/c1-3-19-5-8(14-17-19)23(21,22)16-9(20)6-4-7(10(11,12)13)15-18(6)2/h4-5H,3H2,1-2H3,(H,16,20).
What are the key properties of N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 352.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167747497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).