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

C20H15ClF3N3O — CID 57458606

IUPAC1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C20H15ClF3N3O/c21-14-7-3-4-8-16(14)27-17(11-18(26-27)20(22,23)24)19(28)25-15-10-9-12-5-1-2-6-13(12)15/h1-8,11,15H,9-10H2,(H,25,28)
InChIKeyXSLQAHGRLNTVAB-UHFFFAOYSA-N
MW405.81 g/mol
LogP4.96
Rot. Bonds3

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

1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 57458606) has the molecular formula C20H15ClF3N3O and a molecular weight of 405.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID57458606
Molecular FormulaC20H15ClF3N3O
Molecular Weight405.81 g/mol
Exact Mass405.09
IUPAC Name1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C20H15ClF3N3O/c21-14-7-3-4-8-16(14)27-17(11-18(26-27)20(22,23)24)19(28)25-15-10-9-12-5-1-2-6-13(12)15/h1-8,11,15H,9-10H2,(H,25,28)
InChIKeyXSLQAHGRLNTVAB-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-(5-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 67184829
1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58832549
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 57458707
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CID 25212748
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-oxothiolan-3-yl)benzamide
CID 59632448
N-(4-bromophenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59240027
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
1-(2-chlorophenyl)-N-[2-(3-fluorocyclohexa-2,4-dien-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 71094322
1-(2-chlorophenyl)-3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 57458230
1-(2-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 71094273
1-(2-chlorophenyl)-N-[2-(pyrimidin-2-ylamino)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 57458606) is 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is O=C(NC1CCc2ccccc21)c1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is XSLQAHGRLNTVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O/c21-14-7-3-4-8-16(14)27-17(11-18(26-27)20(22,23)24)19(28)25-15-10-9-12-5-1-2-6-13(12)15/h1-8,11,15H,9-10H2,(H,25,28).
What are the key properties of 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 405.81 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57458606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).