1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea

C18H24N4O3S — CID 12530662

IUPAC1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea
SMILESCc1cc(C)n(-c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C18H24N4O3S/c1-13-12-14(2)22(20-13)16-8-10-17(11-9-16)26(24,25)21-18(23)19-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,19,21,23)
InChIKeyOGZAQJJOYCELAB-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.81
Rot. Bonds4

About 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea

1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea (PubChem CID 12530662) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea
PubChem CID12530662
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea
SMILESCc1cc(C)n(-c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C18H24N4O3S/c1-13-12-14(2)22(20-13)16-8-10-17(11-9-16)26(24,25)21-18(23)19-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,19,21,23)
InChIKeyOGZAQJJOYCELAB-UHFFFAOYSA-N
XLogP2.81
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea (CID 12530662) is 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea is Cc1cc(C)n(-c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)n1.
What is the InChIKey of 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea?
The InChIKey is OGZAQJJOYCELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-12-14(2)22(20-13)16-8-10-17(11-9-16)26(24,25)21-18(23)19-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea?
1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea has a molecular weight of 376.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea is sourced from PubChem (CID 12530662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).