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

C19H18F2N2O2 — CID 141269990

IUPAC(2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
SMILESOC[C@H](O)CCc1[nH]nc(-c2ccccc2)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N2O2/c20-15-8-6-13(10-16(15)21)18-17(9-7-14(25)11-24)22-23-19(18)12-4-2-1-3-5-12/h1-6,8,10,14,24-25H,7,9,11H2,(H,22,23)/t14-/m1/s1
InChIKeyKINPIBNHMYNOJJ-CQSZACIVSA-N
MW344.36 g/mol
LogP3.31
Rot. Bonds6

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

(2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol (PubChem CID 141269990) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol.

Molecular Properties

Compound Name(2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
PubChem CID141269990
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
SMILESOC[C@H](O)CCc1[nH]nc(-c2ccccc2)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N2O2/c20-15-8-6-13(10-16(15)21)18-17(9-7-14(25)11-24)22-23-19(18)12-4-2-1-3-5-12/h1-6,8,10,14,24-25H,7,9,11H2,(H,22,23)/t14-/m1/s1
InChIKeyKINPIBNHMYNOJJ-CQSZACIVSA-N
XLogP3.31
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol with MolForge

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Related Compounds

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CID 2805406
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3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
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1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
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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
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CID 89488447
2,4,4-trimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]ethyl]cyclohex-2-en-1-ol
CID 91375907

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
The IUPAC name of (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol (CID 141269990) is (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol.
What is the SMILES notation for (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
The canonical SMILES for (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol is OC[C@H](O)CCc1[nH]nc(-c2ccccc2)c1-c1ccc(F)c(F)c1.
What is the InChIKey of (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
The InChIKey is KINPIBNHMYNOJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-15-8-6-13(10-16(15)21)18-17(9-7-14(25)11-24)22-23-19(18)12-4-2-1-3-5-12/h1-6,8,10,14,24-25H,7,9,11H2,(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
(2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol has a molecular weight of 344.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol is sourced from PubChem (CID 141269990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).