4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole

C18H18N2O2S — CID 75426285

IUPAC4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole
SMILESCOc1cccc(CS(=O)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H18N2O2S/c1-22-18-9-5-6-15(10-18)13-23(21)14-16-11-19-20(12-16)17-7-3-2-4-8-17/h2-12H,13-14H2,1H3
InChIKeyUIDPZSFXJBHFKX-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.33
Rot. Bonds6

About 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole

4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole (PubChem CID 75426285) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole
PubChem CID75426285
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole
SMILESCOc1cccc(CS(=O)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H18N2O2S/c1-22-18-9-5-6-15(10-18)13-23(21)14-16-11-19-20(12-16)17-7-3-2-4-8-17/h2-12H,13-14H2,1H3
InChIKeyUIDPZSFXJBHFKX-UHFFFAOYSA-N
XLogP3.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(S)-benzylsulfinyl]methyl]-3-methoxybenzene
CID 94792829
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111251127
4-[[(S)-(2-methoxyphenyl)sulfinyl]methyl]-1-phenylpyrazole
CID 97000917
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
1-[[(S)-(3-methoxyphenyl)methylsulfinyl]methyl]-3-(trifluoromethyl)benzene
CID 94812111
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 18122694
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
1-phenyl-4-[[(R)-[(1R)-1-phenylpropyl]sulfinyl]methyl]pyrazole
CID 97025916
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
4-(oxan-4-ylmethylsulfinylmethyl)-1-phenylpyrazole
CID 86781044
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole?
The IUPAC name of 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole (CID 75426285) is 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole?
The canonical SMILES for 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole is COc1cccc(CS(=O)Cc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole?
The InChIKey is UIDPZSFXJBHFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-22-18-9-5-6-15(10-18)13-23(21)14-16-11-19-20(12-16)17-7-3-2-4-8-17/h2-12H,13-14H2,1H3.
What are the key properties of 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole?
4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole has a molecular weight of 326.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole is sourced from PubChem (CID 75426285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).