5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide

C17H20F3N5OS — CID 166141292

IUPAC5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide
SMILESCCSc1c(C(=O)Nc2cc(C(F)(F)F)ncc2NC)nn(C)c1C1CC1
InChIInChI=1S/C17H20F3N5OS/c1-4-27-15-13(24-25(3)14(15)9-5-6-9)16(26)23-10-7-12(17(18,19)20)22-8-11(10)21-2/h7-9,21H,4-6H2,1-3H3,(H,22,23,26)
InChIKeyXAGFJMCBNQPDMQ-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.12
Rot. Bonds6

About 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide

5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide (PubChem CID 166141292) has the molecular formula C17H20F3N5OS and a molecular weight of 399.44 g/mol. Its IUPAC name is 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide
PubChem CID166141292
Molecular FormulaC17H20F3N5OS
Molecular Weight399.44 g/mol
Exact Mass399.13
IUPAC Name5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide
SMILESCCSc1c(C(=O)Nc2cc(C(F)(F)F)ncc2NC)nn(C)c1C1CC1
InChIInChI=1S/C17H20F3N5OS/c1-4-27-15-13(24-25(3)14(15)9-5-6-9)16(26)23-10-7-12(17(18,19)20)22-8-11(10)21-2/h7-9,21H,4-6H2,1-3H3,(H,22,23,26)
InChIKeyXAGFJMCBNQPDMQ-UHFFFAOYSA-N
XLogP4.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide (CID 166141292) is 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide is CCSc1c(C(=O)Nc2cc(C(F)(F)F)ncc2NC)nn(C)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is XAGFJMCBNQPDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5OS/c1-4-27-15-13(24-25(3)14(15)9-5-6-9)16(26)23-10-7-12(17(18,19)20)22-8-11(10)21-2/h7-9,21H,4-6H2,1-3H3,(H,22,23,26).
What are the key properties of 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide?
5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-ethylsulfanyl-1-methyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166141292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).