(2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol

C19H19FN2O2 — CID 141270010

IUPAC(2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
SMILESOC[C@@H](O)CCc1[nH]nc(-c2ccccc2)c1-c1cccc(F)c1
InChIInChI=1S/C19H19FN2O2/c20-15-8-4-7-14(11-15)18-17(10-9-16(24)12-23)21-22-19(18)13-5-2-1-3-6-13/h1-8,11,16,23-24H,9-10,12H2,(H,21,22)/t16-/m0/s1
InChIKeyDANSIKDPOIAEPG-INIZCTEOSA-N
MW326.37 g/mol
LogP3.17
Rot. Bonds6

About (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol

(2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol (PubChem CID 141270010) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol.

Molecular Properties

Compound Name(2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
PubChem CID141270010
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
SMILESOC[C@@H](O)CCc1[nH]nc(-c2ccccc2)c1-c1cccc(F)c1
InChIInChI=1S/C19H19FN2O2/c20-15-8-4-7-14(11-15)18-17(10-9-16(24)12-23)21-22-19(18)13-5-2-1-3-6-13/h1-8,11,16,23-24H,9-10,12H2,(H,21,22)/t16-/m0/s1
InChIKeyDANSIKDPOIAEPG-INIZCTEOSA-N
XLogP3.17
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol 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

3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol
CID 2805406
1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155544554
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 15626653
2-(3-(2-Fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl)ethanol
CID 67384996
1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
CID 67388747
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanol
CID 67438076
2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol
CID 67438332
3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol
CID 71021990
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol
CID 89488350
3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 89488430
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol
CID 89488447
(2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
CID 141269990

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
The IUPAC name of (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol (CID 141270010) is (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol.
What is the SMILES notation for (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
The canonical SMILES for (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol is OC[C@@H](O)CCc1[nH]nc(-c2ccccc2)c1-c1cccc(F)c1.
What is the InChIKey of (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
The InChIKey is DANSIKDPOIAEPG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-8-4-7-14(11-15)18-17(10-9-16(24)12-23)21-22-19(18)13-5-2-1-3-6-13/h1-8,11,16,23-24H,9-10,12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
(2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol has a molecular weight of 326.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol is sourced from PubChem (CID 141270010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).