3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide

C20H16F4N4O — CID 177051792

IUPAC3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
SMILESCc1cc(F)cc(C(=O)N[C@H]2CCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)c1
InChIInChI=1S/C20H16F4N4O/c1-11-6-12(8-13(21)7-11)19(29)26-16-2-3-17-15(16)10-28(27-17)14-4-5-25-18(9-14)20(22,23)24/h4-10,16H,2-3H2,1H3,(H,26,29)/t16-/m0/s1
InChIKeyYASUYQFSVGMZPE-INIZCTEOSA-N
MW404.37 g/mol
LogP4.15
Rot. Bonds3

About 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide

3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide (PubChem CID 177051792) has the molecular formula C20H16F4N4O and a molecular weight of 404.37 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
PubChem CID177051792
Molecular FormulaC20H16F4N4O
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC Name3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
SMILESCc1cc(F)cc(C(=O)N[C@H]2CCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)c1
InChIInChI=1S/C20H16F4N4O/c1-11-6-12(8-13(21)7-11)19(29)26-16-2-3-17-15(16)10-28(27-17)14-4-5-25-18(9-14)20(22,23)24/h4-10,16H,2-3H2,1H3,(H,26,29)/t16-/m0/s1
InChIKeyYASUYQFSVGMZPE-INIZCTEOSA-N
XLogP4.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide (CID 177051792) is 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide is Cc1cc(F)cc(C(=O)N[C@H]2CCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide?
The InChIKey is YASUYQFSVGMZPE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16F4N4O/c1-11-6-12(8-13(21)7-11)19(29)26-16-2-3-17-15(16)10-28(27-17)14-4-5-25-18(9-14)20(22,23)24/h4-10,16H,2-3H2,1H3,(H,26,29)/t16-/m0/s1.
What are the key properties of 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide?
3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide has a molecular weight of 404.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide is sourced from PubChem (CID 177051792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).