1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea

C22H26ClN5O3S — CID 166324644

IUPAC1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
SMILESCc1cn(-c2ccc(Cl)cc2)nc1NC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C22H26ClN5O3S/c1-15(2)27-32(30,31)14-18-6-4-17(5-7-18)12-24-22(29)25-21-16(3)13-28(26-21)20-10-8-19(23)9-11-20/h4-11,13,15,27H,12,14H2,1-3H3,(H2,24,25,26,29)
InChIKeyDKRSDRSGLBAHTR-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.98
Rot. Bonds8

About 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea

1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea (PubChem CID 166324644) has the molecular formula C22H26ClN5O3S and a molecular weight of 476.00 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
PubChem CID166324644
Molecular FormulaC22H26ClN5O3S
Molecular Weight476.00 g/mol
Exact Mass475.14
IUPAC Name1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
SMILESCc1cn(-c2ccc(Cl)cc2)nc1NC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C22H26ClN5O3S/c1-15(2)27-32(30,31)14-18-6-4-17(5-7-18)12-24-22(29)25-21-16(3)13-28(26-21)20-10-8-19(23)9-11-20/h4-11,13,15,27H,12,14H2,1-3H3,(H2,24,25,26,29)
InChIKeyDKRSDRSGLBAHTR-UHFFFAOYSA-N
XLogP3.98
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea 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

1-[1-(4-chlorophenyl)cyclobutyl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 86888638
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55607922
1-(3-chlorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39695596
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16601210
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 56803343
N-[2-[(4-bromobenzoyl)amino]ethyl]-N'-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]oxamide
CID 155968885
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111132029
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide
CID 110625391
1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 33116947
1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347605
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea (CID 166324644) is 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea is Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is DKRSDRSGLBAHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O3S/c1-15(2)27-32(30,31)14-18-6-4-17(5-7-18)12-24-22(29)25-21-16(3)13-28(26-21)20-10-8-19(23)9-11-20/h4-11,13,15,27H,12,14H2,1-3H3,(H2,24,25,26,29).
What are the key properties of 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 476.00 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 166324644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).