4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline

C23H28N4O3S — CID 70692175

IUPAC4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline
SMILESCNc1ccc(-c2cc(C3CCN(S(C)(=O)=O)CC3)nn2-c2ccccc2OC)cc1
InChIInChI=1S/C23H28N4O3S/c1-24-19-10-8-18(9-11-19)22-16-20(17-12-14-26(15-13-17)31(3,28)29)25-27(22)21-6-4-5-7-23(21)30-2/h4-11,16-17,24H,12-15H2,1-3H3
InChIKeyMRRLTKVCBFNERE-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.73
Rot. Bonds6

About 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline

4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline (PubChem CID 70692175) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline
PubChem CID70692175
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline
SMILESCNc1ccc(-c2cc(C3CCN(S(C)(=O)=O)CC3)nn2-c2ccccc2OC)cc1
InChIInChI=1S/C23H28N4O3S/c1-24-19-10-8-18(9-11-19)22-16-20(17-12-14-26(15-13-17)31(3,28)29)25-27(22)21-6-4-5-7-23(21)30-2/h4-11,16-17,24H,12-15H2,1-3H3
InChIKeyMRRLTKVCBFNERE-UHFFFAOYSA-N
XLogP3.73
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727548
N-{4-[2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-methanesulfonamide
CID 10070193
4-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 60143325
4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N,N-dimethylaniline
CID 70681600
4-[5-(4-Fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 70683716
4-[1-(3-Chloro-2-methoxyphenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 70685862
4-[5-(4-Tert-butylphenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 70685863
4-[1-(2-Methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 70685864
4-[5-(2,4-Dichlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 70685865
2-Chloro-5-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]benzonitrile
CID 70685866
4-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-(trifluoromethylsulfonyl)piperidine
CID 70687990
4-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine
CID 70687991

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline?
The IUPAC name of 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline (CID 70692175) is 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline?
The canonical SMILES for 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline is CNc1ccc(-c2cc(C3CCN(S(C)(=O)=O)CC3)nn2-c2ccccc2OC)cc1.
What is the InChIKey of 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline?
The InChIKey is MRRLTKVCBFNERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-24-19-10-8-18(9-11-19)22-16-20(17-12-14-26(15-13-17)31(3,28)29)25-27(22)21-6-4-5-7-23(21)30-2/h4-11,16-17,24H,12-15H2,1-3H3.
What are the key properties of 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline?
4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline has a molecular weight of 440.57 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline is sourced from PubChem (CID 70692175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).