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

C19H19ClN2O2 — CID 141270018

IUPAC(2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
SMILESOC[C@H](O)CCc1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/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-/m1/s1
InChIKeyJAGJNBHHDBKNFS-MRXNPFEDSA-N
MW342.83 g/mol
LogP3.68
Rot. Bonds6

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

(2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol (PubChem CID 141270018) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol.

Molecular Properties

Compound Name(2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
PubChem CID141270018
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
SMILESOC[C@H](O)CCc1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/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-/m1/s1
InChIKeyJAGJNBHHDBKNFS-MRXNPFEDSA-N
XLogP3.68
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol
CID 141270025
4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
CID 141270020
4-(2,4-dichlorophenyl)butane-1,2-diol
CID 57073476
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686085
2-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 57056355
3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
CID 83868818
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686082
2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine
CID 82476314
2-(3-chlorophenyl)-1,3,5-triphenylbenzene
CID 169275191
(4-chloro-3-phenyl-1H-pyrazol-5-yl)methanethiol
CID 139479531
[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600353

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
The IUPAC name of (2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol (CID 141270018) is (2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol.
What is the SMILES notation for (2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
The canonical SMILES for (2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol is OC[C@H](O)CCc1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1.
What is the InChIKey of (2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
The InChIKey is JAGJNBHHDBKNFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19ClN2O2/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-/m1/s1.
What are the key properties of (2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol?
(2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol has a molecular weight of 342.83 g/mol, XLogP of 3.68, 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-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol is sourced from PubChem (CID 141270018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).