3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

C19H23F2N3OS — CID 175346427

IUPAC3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESCSc1ccc(NC(=O)c2cn(C)nc2C(F)F)c2c1C(C)(C)C(C)C2
InChIInChI=1S/C19H23F2N3OS/c1-10-8-11-13(6-7-14(26-5)15(11)19(10,2)3)22-18(25)12-9-24(4)23-16(12)17(20)21/h6-7,9-10,17H,8H2,1-5H3,(H,22,25)
InChIKeyLTIOBYZJIBRABY-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.80
Rot. Bonds4

About 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (PubChem CID 175346427) has the molecular formula C19H23F2N3OS and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
PubChem CID175346427
Molecular FormulaC19H23F2N3OS
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESCSc1ccc(NC(=O)c2cn(C)nc2C(F)F)c2c1C(C)(C)C(C)C2
InChIInChI=1S/C19H23F2N3OS/c1-10-8-11-13(6-7-14(26-5)15(11)19(10,2)3)22-18(25)12-9-24(4)23-16(12)17(20)21/h6-7,9-10,17H,8H2,1-5H3,(H,22,25)
InChIKeyLTIOBYZJIBRABY-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (CID 175346427) is 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is CSc1ccc(NC(=O)c2cn(C)nc2C(F)F)c2c1C(C)(C)C(C)C2.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The InChIKey is LTIOBYZJIBRABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3OS/c1-10-8-11-13(6-7-14(26-5)15(11)19(10,2)3)22-18(25)12-9-24(4)23-16(12)17(20)21/h6-7,9-10,17H,8H2,1-5H3,(H,22,25).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 175346427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).