(3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid

C25H28F2N2O4 — CID 54277207

IUPAC(3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O
InChIInChI=1S/C25H28F2N2O4/c1-15(2)24-22(12-11-20(30)13-21(31)14-23(32)33)25(16-3-5-17(26)6-4-16)29(28-24)19-9-7-18(27)8-10-19/h3-10,15,20-21,30-31H,11-14H2,1-2H3,(H,32,33)/t20-,21-/m1/s1
InChIKeyROFUEJSMXQUDMK-NHCUHLMSSA-N
MW458.51 g/mol
LogP4.46
Rot. Bonds10

About (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid

(3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 54277207) has the molecular formula C25H28F2N2O4 and a molecular weight of 458.51 g/mol. Its IUPAC name is (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

Compound Name(3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid
PubChem CID54277207
Molecular FormulaC25H28F2N2O4
Molecular Weight458.51 g/mol
Exact Mass458.20
IUPAC Name(3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O
InChIInChI=1S/C25H28F2N2O4/c1-15(2)24-22(12-11-20(30)13-21(31)14-23(32)33)25(16-3-5-17(26)6-4-16)29(28-24)19-9-7-18(27)8-10-19/h3-10,15,20-21,30-31H,11-14H2,1-2H3,(H,32,33)/t20-,21-/m1/s1
InChIKeyROFUEJSMXQUDMK-NHCUHLMSSA-N
XLogP4.46
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-7-[1-(2-anilino-4-pyridinyl)-3-butan-2-yl-5-(4-fluorophenyl)pyrazol-4-yl]-3,5-dihydroxyheptanoic acid
CID 69264956
(E,3R,5S)-7-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyhept-6-enoic acid
CID 15748319
(3R,5R)-7-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyhept-6-enoic acid
CID 57168838
dilithium bis((3S)-4-[2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]ethyl-hydroxyphosphoryl]-3-hydroxybutanoate)
CID 139606091
7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid
CID 19914648
sodium;(3R,5R)-7-[5-(ethylcarbamoyl)-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride
CID 173112436
(3R,5R)-7-[2-(4-fluorophenyl)-5-[[(1R)-1-(4-methylphenyl)ethyl]carbamoyl]-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid
CID 140538867
(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[(4-propan-2-ylphenyl)methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid
CID 11519503
7-[5-[(2,6-difluorophenyl)methyl-methylcarbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid
CID 68797035
(3R,5R)-3,5-dihydroxy-7-[1-(2-methoxypyrimidin-4-yl)-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]heptanoic acid
CID 11497320
(3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid
CID 11627067
7-[5-[2-(2,3-difluoro-6-methoxyphenyl)ethylcarbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid
CID 142777635

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid?
The IUPAC name of (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid (CID 54277207) is (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid.
What is the SMILES notation for (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid?
The canonical SMILES for (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid is CC(C)c1nn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O.
What is the InChIKey of (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid?
The InChIKey is ROFUEJSMXQUDMK-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H28F2N2O4/c1-15(2)24-22(12-11-20(30)13-21(31)14-23(32)33)25(16-3-5-17(26)6-4-16)29(28-24)19-9-7-18(27)8-10-19/h3-10,15,20-21,30-31H,11-14H2,1-2H3,(H,32,33)/t20-,21-/m1/s1.
What are the key properties of (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid?
(3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 458.51 g/mol, XLogP of 4.46, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 54277207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).