7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

C16H16F3N3O2 — CID 136565869

IUPAC7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCn1nc(C(F)(F)F)cc1CNC(=O)C1CCc2cccc(O)c21
InChIInChI=1S/C16H16F3N3O2/c1-22-10(7-13(21-22)16(17,18)19)8-20-15(24)11-6-5-9-3-2-4-12(23)14(9)11/h2-4,7,11,23H,5-6,8H2,1H3,(H,20,24)
InChIKeyGFCVTBDSINOQAP-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.49
Rot. Bonds3

About 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 136565869) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID136565869
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCn1nc(C(F)(F)F)cc1CNC(=O)C1CCc2cccc(O)c21
InChIInChI=1S/C16H16F3N3O2/c1-22-10(7-13(21-22)16(17,18)19)8-20-15(24)11-6-5-9-3-2-4-12(23)14(9)11/h2-4,7,11,23H,5-6,8H2,1H3,(H,20,24)
InChIKeyGFCVTBDSINOQAP-UHFFFAOYSA-N
XLogP2.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 136565869) is 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is Cn1nc(C(F)(F)F)cc1CNC(=O)C1CCc2cccc(O)c21.
What is the InChIKey of 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is GFCVTBDSINOQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-22-10(7-13(21-22)16(17,18)19)8-20-15(24)11-6-5-9-3-2-4-12(23)14(9)11/h2-4,7,11,23H,5-6,8H2,1H3,(H,20,24).
What are the key properties of 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 136565869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).