1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea

C26H33N5O3S — CID 52951865

IUPAC1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
SMILESNS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)NC3CCCCCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C26H33N5O3S/c27-35(33,34)24-16-14-23(15-17-24)31-25(20-9-4-3-5-10-20)19-22(30-31)13-8-18-28-26(32)29-21-11-6-1-2-7-12-21/h3-5,9-10,14-17,19,21H,1-2,6-8,11-13,18H2,(H2,27,33,34)(H2,28,29,32)
InChIKeyYWSQVXZPIBFORJ-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.14
Rot. Bonds8

About 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea

1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea (PubChem CID 52951865) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
PubChem CID52951865
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC Name1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
SMILESNS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)NC3CCCCCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C26H33N5O3S/c27-35(33,34)24-16-14-23(15-17-24)31-25(20-9-4-3-5-10-20)19-22(30-31)13-8-18-28-26(32)29-21-11-6-1-2-7-12-21/h3-5,9-10,14-17,19,21H,1-2,6-8,11-13,18H2,(H2,27,33,34)(H2,28,29,32)
InChIKeyYWSQVXZPIBFORJ-UHFFFAOYSA-N
XLogP4.14
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-(5-Phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl)propyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 52951990
4-{5-Phenyl-3-[3-(3-phenyl-ureido)-propyl]-pyrazol-1-yl}-benzenesulfonamide
CID 52951863
4-{3-[3-(3-Adamantan-1-yl-ureido)-propyl]-5-phenyl-pyrazol-1-yl}-benzenesulfonamide
CID 52951864
4-(3-{3-[3-(4-Chloro-phenyl)-ureido]-propyl}-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 52951866
4-[4-(2-Acetyl-5-phenyl-3,4-dihydropyrazol-3-yl)-5-chloro-3-methylpyrazol-1-yl]benzenesulfonamide
CID 122184933
4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10135355
4-(5-Phenyl-3-{2-[3-(3-trifluoromethyl-phenyl)-ureido]-ethyl}-pyrazol-1-yl)-benzenesulfonamide
CID 52951275
1-Adamantan-1-yl-3-[1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-pyrazol-3-ylmethyl]-urea
CID 52951485
1-Cycloheptyl-3-[1-(4-methanesulfonyl-phenyl)-5-phenyl-1Hpyrazol-3-ylmethyl]-urea
CID 52951486
1-[1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazol-3-ylmethyl]-3-phenyl-urea
CID 52951487
1-[1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazol-3-ylmethyl]-3-(4-trifluoromethyl-phenyl)-urea
CID 52951489
1-[1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazol-3-ylmethyl]-3-(3-trifluoromethyl-phenyl)-urea
CID 52951612

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?
The IUPAC name of 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea (CID 52951865) is 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea is NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)NC3CCCCCC3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?
The InChIKey is YWSQVXZPIBFORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c27-35(33,34)24-16-14-23(15-17-24)31-25(20-9-4-3-5-10-20)19-22(30-31)13-8-18-28-26(32)29-21-11-6-1-2-7-12-21/h3-5,9-10,14-17,19,21H,1-2,6-8,11-13,18H2,(H2,27,33,34)(H2,28,29,32).
What are the key properties of 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?
1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea has a molecular weight of 495.65 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea is sourced from PubChem (CID 52951865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).