3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide

C19H21F3N6O3S — CID 166141311

About 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide

3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide (PubChem CID 166141311) has the molecular formula C19H21F3N6O3S and a molecular weight of 470.48 g/mol. Its IUPAC name is 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide
• PubChem CID: 166141311
• Molecular Formula: C19H21F3N6O3S
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.13
• IUPAC Name: 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide
• SMILES: CCS(=O)(=O)c1c(C2CC2)nn(C(=O)N(C)C)c1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C19H21F3N6O3S/c1-5-32(30,31)16-14(10-6-7-10)25-28(18(29)26(2)3)15(16)17-24-11-8-13(19(20,21)22)23-9-12(11)27(17)4/h8-10H,5-7H2,1-4H3
• InChIKey: PIDMJEXNRBSOFN-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 102.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide?

The IUPAC name of 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide (CID 166141311) is 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide.

What is the SMILES notation for 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide?

The canonical SMILES for 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide is CCS(=O)(=O)c1c(C2CC2)nn(C(=O)N(C)C)c1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide?

The InChIKey is PIDMJEXNRBSOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O3S/c1-5-32(30,31)16-14(10-6-7-10)25-28(18(29)26(2)3)15(16)17-24-11-8-13(19(20,21)22)23-9-12(11)27(17)4/h8-10H,5-7H2,1-4H3.

What are the key properties of 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide?

3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-4-ethylsulfonyl-N,N-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazole-1-carboxamide is sourced from PubChem (CID 166141311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).