1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole

C19H20N2OS — CID 97025916

IUPAC1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole
SMILESCC[C@H](c1ccccc1)[S@](=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N2OS/c1-2-19(17-9-5-3-6-10-17)23(22)15-16-13-20-21(14-16)18-11-7-4-8-12-18/h3-14,19H,2,15H2,1H3/t19-,23-/m1/s1
InChIKeyQPIGEAFKQINFEQ-AUSIDOKSSA-N
MW324.45 g/mol
LogP4.27
Rot. Bonds6

About 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole

1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole (PubChem CID 97025916) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole.

Molecular Properties

Compound Name1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole
PubChem CID97025916
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole
SMILESCC[C@H](c1ccccc1)[S@](=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N2OS/c1-2-19(17-9-5-3-6-10-17)23(22)15-16-13-20-21(14-16)18-11-7-4-8-12-18/h3-14,19H,2,15H2,1H3/t19-,23-/m1/s1
InChIKeyQPIGEAFKQINFEQ-AUSIDOKSSA-N
XLogP4.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(S)-(2-methoxyphenyl)sulfinyl]methyl]-1-phenylpyrazole
CID 97000917
1-phenyl-4-propylpyrazole
CID 12902534
4-(oxan-4-ylmethylsulfinylmethyl)-1-phenylpyrazole
CID 86781044
4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole
CID 75426285
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
3,4-dimethyl-5-[[(S)-[(1R)-1-phenylpropyl]sulfinyl]methyl]-1,2,4-triazole
CID 99602566
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105
(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 92854396
3-methylsulfinyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 115711557
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32935657
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole?
The IUPAC name of 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole (CID 97025916) is 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole.
What is the SMILES notation for 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole?
The canonical SMILES for 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole is CC[C@H](c1ccccc1)[S@](=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole?
The InChIKey is QPIGEAFKQINFEQ-AUSIDOKSSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-19(17-9-5-3-6-10-17)23(22)15-16-13-20-21(14-16)18-11-7-4-8-12-18/h3-14,19H,2,15H2,1H3/t19-,23-/m1/s1.
What are the key properties of 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole?
1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole has a molecular weight of 324.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole is sourced from PubChem (CID 97025916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).