[(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol

C23H21ClN2O — CID 25011052

IUPAC[(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol
SMILESCc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClN2O/c1-16-6-5-7-18(14-16)23-22(17-10-12-19(24)13-11-17)21(15-27)26(25-23)20-8-3-2-4-9-20/h2-14,21-22,27H,15H2,1H3/t21-,22+/m1/s1
InChIKeyHCFGGBIHMYOYMK-YADHBBJMSA-N
MW376.89 g/mol
LogP5.02
Rot. Bonds4

About [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol

[(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol (PubChem CID 25011052) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol
PubChem CID25011052
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name[(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol
SMILESCc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClN2O/c1-16-6-5-7-18(14-16)23-22(17-10-12-19(24)13-11-17)21(15-27)26(25-23)20-8-3-2-4-9-20/h2-14,21-22,27H,15H2,1H3/t21-,22+/m1/s1
InChIKeyHCFGGBIHMYOYMK-YADHBBJMSA-N
XLogP5.02
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol (CID 25011052) is [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol is Cc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@@H]2c2ccc(Cl)cc2)c1.
What is the InChIKey of [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol?
The InChIKey is HCFGGBIHMYOYMK-YADHBBJMSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-16-6-5-7-18(14-16)23-22(17-10-12-19(24)13-11-17)21(15-27)26(25-23)20-8-3-2-4-9-20/h2-14,21-22,27H,15H2,1H3/t21-,22+/m1/s1.
What are the key properties of [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol?
[(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol has a molecular weight of 376.89 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol is sourced from PubChem (CID 25011052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).