1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide

C11H9F3N4O3S — CID 140651566

IUPAC1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C11H9F3N4O3S/c12-11(13,14)22(20,21)9-3-1-8(2-4-9)17-18-6-7(5-16-18)10(15)19/h1-6,17H,(H2,15,19)
InChIKeyITGPWRDVJHPTCJ-UHFFFAOYSA-N
MW334.28 g/mol
LogP1.15
Rot. Bonds4

About 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide

1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide (PubChem CID 140651566) has the molecular formula C11H9F3N4O3S and a molecular weight of 334.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide
PubChem CID140651566
Molecular FormulaC11H9F3N4O3S
Molecular Weight334.28 g/mol
Exact Mass334.03
IUPAC Name1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C11H9F3N4O3S/c12-11(13,14)22(20,21)9-3-1-8(2-4-9)17-18-6-7(5-16-18)10(15)19/h1-6,17H,(H2,15,19)
InChIKeyITGPWRDVJHPTCJ-UHFFFAOYSA-N
XLogP1.15
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide (CID 140651566) is 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide is NC(=O)c1cnn(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide?
The InChIKey is ITGPWRDVJHPTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3S/c12-11(13,14)22(20,21)9-3-1-8(2-4-9)17-18-6-7(5-16-18)10(15)19/h1-6,17H,(H2,15,19).
What are the key properties of 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide?
1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide has a molecular weight of 334.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide is sourced from PubChem (CID 140651566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).