N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H16F3N3O — CID 174724212

IUPACN-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc3c2CCC3)c(C(F)(F)F)nn1C
InChIInChI=1S/C16H16F3N3O/c1-9-13(14(16(17,18)19)21-22(9)2)15(23)20-12-8-4-6-10-5-3-7-11(10)12/h4,6,8H,3,5,7H2,1-2H3,(H,20,23)
InChIKeyAADBVNYTUYUGIW-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.49
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 174724212) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID174724212
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc3c2CCC3)c(C(F)(F)F)nn1C
InChIInChI=1S/C16H16F3N3O/c1-9-13(14(16(17,18)19)21-22(9)2)15(23)20-12-8-4-6-10-5-3-7-11(10)12/h4,6,8H,3,5,7H2,1-2H3,(H,20,23)
InChIKeyAADBVNYTUYUGIW-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 162597470
N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150424894
N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine
CID 174724104
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 166302719
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 86629852
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
CID 72887082
N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68704570
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 174724212) is N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc3c2CCC3)c(C(F)(F)F)nn1C.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is AADBVNYTUYUGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-9-13(14(16(17,18)19)21-22(9)2)15(23)20-12-8-4-6-10-5-3-7-11(10)12/h4,6,8H,3,5,7H2,1-2H3,(H,20,23).
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 174724212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).