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

C19H20F5N3O2 — CID 175346448

IUPAC3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide
SMILESCC1Cc2c(NC(=O)c3cn(C)nc3C(F)F)ccc(OC(F)(F)F)c2C1(C)C
InChIInChI=1S/C19H20F5N3O2/c1-9-7-10-12(25-17(28)11-8-27(4)26-15(11)16(20)21)5-6-13(29-19(22,23)24)14(10)18(9,2)3/h5-6,8-9,16H,7H2,1-4H3,(H,25,28)
InChIKeyQPLXALDONBMUGQ-UHFFFAOYSA-N
MW417.38 g/mol
LogP4.98
Rot. Bonds4

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

3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide (PubChem CID 175346448) has the molecular formula C19H20F5N3O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide
PubChem CID175346448
Molecular FormulaC19H20F5N3O2
Molecular Weight417.38 g/mol
Exact Mass417.15
IUPAC Name3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide
SMILESCC1Cc2c(NC(=O)c3cn(C)nc3C(F)F)ccc(OC(F)(F)F)c2C1(C)C
InChIInChI=1S/C19H20F5N3O2/c1-9-7-10-12(25-17(28)11-8-27(4)26-15(11)16(20)21)5-6-13(29-19(22,23)24)14(10)18(9,2)3/h5-6,8-9,16H,7H2,1-4H3,(H,25,28)
InChIKeyQPLXALDONBMUGQ-UHFFFAOYSA-N
XLogP4.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 54.98
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-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide (CID 175346448) is 3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide is CC1Cc2c(NC(=O)c3cn(C)nc3C(F)F)ccc(OC(F)(F)F)c2C1(C)C.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide?
The InChIKey is QPLXALDONBMUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N3O2/c1-9-7-10-12(25-17(28)11-8-27(4)26-15(11)16(20)21)5-6-13(29-19(22,23)24)14(10)18(9,2)3/h5-6,8-9,16H,7H2,1-4H3,(H,25,28).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-[1,1,2-trimethyl-7-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide has a molecular weight of 417.38 g/mol, XLogP of 4.98, 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-(trifluoromethoxy)-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 175346448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).