3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide

C14H16F3N3O3S — CID 23050780

IUPAC3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O3S/c1-2-5-10-8-9-18-20(10)13(21)19-24(22,23)12-7-4-3-6-11(12)14(15,16)17/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,19,21)
InChIKeyBOTTTXAPGZVMAG-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.96
Rot. Bonds4

About 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide

3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050780) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050780
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Name3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O3S/c1-2-5-10-8-9-18-20(10)13(21)19-24(22,23)12-7-4-3-6-11(12)14(15,16)17/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,19,21)
InChIKeyBOTTTXAPGZVMAG-UHFFFAOYSA-N
XLogP2.96
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (CID 23050780) is 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is CCCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is BOTTTXAPGZVMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c1-2-5-10-8-9-18-20(10)13(21)19-24(22,23)12-7-4-3-6-11(12)14(15,16)17/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,19,21).
What are the key properties of 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).