4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline

C25H32N4O3S — CID 90656820

IUPAC4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline
SMILESCc1ccc(-c2nn(C(C)C)cc2CNc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C25H32N4O3S/c1-18(2)29-17-22(25(27-29)21-8-5-19(3)6-9-21)16-26-23-10-7-20(4)24(15-23)33(30,31)28-11-13-32-14-12-28/h5-10,15,17-18,26H,11-14,16H2,1-4H3
InChIKeyGECIRLPGUAPKFJ-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.38
Rot. Bonds7

About 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline

4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline (PubChem CID 90656820) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline
PubChem CID90656820
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline
SMILESCc1ccc(-c2nn(C(C)C)cc2CNc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C25H32N4O3S/c1-18(2)29-17-22(25(27-29)21-8-5-19(3)6-9-21)16-26-23-10-7-20(4)24(15-23)33(30,31)28-11-13-32-14-12-28/h5-10,15,17-18,26H,11-14,16H2,1-4H3
InChIKeyGECIRLPGUAPKFJ-UHFFFAOYSA-N
XLogP4.38
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]-2-methoxyethanamine
CID 44454533
N-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 4230997
1-(4-hydroxybutyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656809
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 90656813
N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 90656817
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 90656827
1-butyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656828
1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656830
1-Ethyl-3-methyl-N-[2-(morpholin-4-YL)-2-phenylethyl]pyrazole-4-sulfonamide
CID 19614785
N-[[6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]-2-methoxyethanamine
CID 67096823
2-[1-Ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646742
2-(2-fluorophenyl)-N-[4-[1-(2-methoxyethyl)pyrazol-4-yl]-3-sulfamoylphenyl]acetamide
CID 132087795

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline?
The IUPAC name of 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline (CID 90656820) is 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline is Cc1ccc(-c2nn(C(C)C)cc2CNc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline?
The InChIKey is GECIRLPGUAPKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-18(2)29-17-22(25(27-29)21-8-5-19(3)6-9-21)16-26-23-10-7-20(4)24(15-23)33(30,31)28-11-13-32-14-12-28/h5-10,15,17-18,26H,11-14,16H2,1-4H3.
What are the key properties of 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline?
4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline has a molecular weight of 468.62 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 90656820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).