1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide

C11H14F3N5O2S — CID 146126700

IUPAC1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)nc1C
InChIInChI=1S/C11H14F3N5O2S/c1-4-19-6-9(15-7(19)2)22(20,21)17-8-5-18(3)16-10(8)11(12,13)14/h5-6,17H,4H2,1-3H3
InChIKeyQNOYRVOIBIAHRD-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.76
Rot. Bonds4

About 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide (PubChem CID 146126700) has the molecular formula C11H14F3N5O2S and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
PubChem CID146126700
Molecular FormulaC11H14F3N5O2S
Molecular Weight337.33 g/mol
Exact Mass337.08
IUPAC Name1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)nc1C
InChIInChI=1S/C11H14F3N5O2S/c1-4-19-6-9(15-7(19)2)22(20,21)17-8-5-18(3)16-10(8)11(12,13)14/h5-6,17H,4H2,1-3H3
InChIKeyQNOYRVOIBIAHRD-UHFFFAOYSA-N
XLogP1.76
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 164931921
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CID 46282679
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CID 46968824
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CID 56481698
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CID 78849341
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CID 82913121
CID 82913121

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide (CID 146126700) is 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
The InChIKey is QNOYRVOIBIAHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2S/c1-4-19-6-9(15-7(19)2)22(20,21)17-8-5-18(3)16-10(8)11(12,13)14/h5-6,17H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide has a molecular weight of 337.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 146126700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).