3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide

C18H20F3N3O — CID 57343740

IUPAC3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide
SMILESCC1CC(C)(C)c2c(F)ccc(NC(=O)c3cn(C)nc3C(F)F)c21
InChIInChI=1S/C18H20F3N3O/c1-9-7-18(2,3)14-11(19)5-6-12(13(9)14)22-17(25)10-8-24(4)23-15(10)16(20)21/h5-6,8-9,16H,7H2,1-4H3,(H,22,25)
InChIKeyXCGBHLLWJZOLEM-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.53
Rot. Bonds3

About 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide

3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 57343740) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide
PubChem CID57343740
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide
SMILESCC1CC(C)(C)c2c(F)ccc(NC(=O)c3cn(C)nc3C(F)F)c21
InChIInChI=1S/C18H20F3N3O/c1-9-7-18(2,3)14-11(19)5-6-12(13(9)14)22-17(25)10-8-24(4)23-15(10)16(20)21/h5-6,8-9,16H,7H2,1-4H3,(H,22,25)
InChIKeyXCGBHLLWJZOLEM-UHFFFAOYSA-N
XLogP4.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

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N-(2,3-dihydro-1H-inden-5-yl)-1-ethylpyrazole-3-carboxamide
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CID 16193474
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CID 850360
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CID 844471

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide (CID 57343740) is 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide is CC1CC(C)(C)c2c(F)ccc(NC(=O)c3cn(C)nc3C(F)F)c21.
What is the InChIKey of 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is XCGBHLLWJZOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-9-7-18(2,3)14-11(19)5-6-12(13(9)14)22-17(25)10-8-24(4)23-15(10)16(20)21/h5-6,8-9,16H,7H2,1-4H3,(H,22,25).
What are the key properties of 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 57343740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).