3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

C19H23F2N3O — CID 175414558

IUPAC3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc3c2CC(C)C3(C)C)c(C(F)F)nn1C
InChIInChI=1S/C19H23F2N3O/c1-10-9-12-13(19(10,3)4)7-6-8-14(12)22-18(25)15-11(2)24(5)23-16(15)17(20)21/h6-8,10,17H,9H2,1-5H3,(H,22,25)
InChIKeyOZIQXDADZWVNBI-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.39
Rot. Bonds3

About 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (PubChem CID 175414558) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
PubChem CID175414558
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc3c2CC(C)C3(C)C)c(C(F)F)nn1C
InChIInChI=1S/C19H23F2N3O/c1-10-9-12-13(19(10,3)4)7-6-8-14(12)22-18(25)15-11(2)24(5)23-16(15)17(20)21/h6-8,10,17H,9H2,1-5H3,(H,22,25)
InChIKeyOZIQXDADZWVNBI-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (CID 175414558) is 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc3c2CC(C)C3(C)C)c(C(F)F)nn1C.
What is the InChIKey of 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The InChIKey is OZIQXDADZWVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-10-9-12-13(19(10,3)4)7-6-8-14(12)22-18(25)15-11(2)24(5)23-16(15)17(20)21/h6-8,10,17H,9H2,1-5H3,(H,22,25).
What are the key properties of 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 175414558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).