1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone

C24H24F4N4O2 — CID 153028196

IUPAC1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone
SMILESCc1cc(CC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3F)c2C)cnc1C1CCC(O)CC1
InChIInChI=1S/C24H24F4N4O2/c1-13-7-15(10-29-22(13)16-3-5-18(33)6-4-16)8-21(34)19-12-31-32(14(19)2)23-20(25)9-17(11-30-23)24(26,27)28/h7,9-12,16,18,33H,3-6,8H2,1-2H3
InChIKeyVDHAOZGJCUZPLF-UHFFFAOYSA-N
MW476.47 g/mol
LogP4.88
Rot. Bonds5

About 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone

1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone (PubChem CID 153028196) has the molecular formula C24H24F4N4O2 and a molecular weight of 476.47 g/mol. Its IUPAC name is 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone
PubChem CID153028196
Molecular FormulaC24H24F4N4O2
Molecular Weight476.47 g/mol
Exact Mass476.18
IUPAC Name1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone
SMILESCc1cc(CC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3F)c2C)cnc1C1CCC(O)CC1
InChIInChI=1S/C24H24F4N4O2/c1-13-7-15(10-29-22(13)16-3-5-18(33)6-4-16)8-21(34)19-12-31-32(14(19)2)23-20(25)9-17(11-30-23)24(26,27)28/h7,9-12,16,18,33H,3-6,8H2,1-2H3
InChIKeyVDHAOZGJCUZPLF-UHFFFAOYSA-N
XLogP4.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone (CID 153028196) is 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone is Cc1cc(CC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3F)c2C)cnc1C1CCC(O)CC1.
What is the InChIKey of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone?
The InChIKey is VDHAOZGJCUZPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2/c1-13-7-15(10-29-22(13)16-3-5-18(33)6-4-16)8-21(34)19-12-31-32(14(19)2)23-20(25)9-17(11-30-23)24(26,27)28/h7,9-12,16,18,33H,3-6,8H2,1-2H3.
What are the key properties of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone?
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone has a molecular weight of 476.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]-2-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]ethanone is sourced from PubChem (CID 153028196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).