1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine

C23H27N3O3S — CID 1265810

IUPAC1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine
SMILESCCOc1ccc(-c2cn(S(=O)(=O)c3ccc(C4CCCCC4)cc3)nc2N)cc1
InChIInChI=1S/C23H27N3O3S/c1-2-29-20-12-8-19(9-13-20)22-16-26(25-23(22)24)30(27,28)21-14-10-18(11-15-21)17-6-4-3-5-7-17/h8-17H,2-7H2,1H3,(H2,24,25)
InChIKeyRXXKSQYJYWWEFM-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.82
Rot. Bonds6

About 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine

1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine (PubChem CID 1265810) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine
PubChem CID1265810
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine
SMILESCCOc1ccc(-c2cn(S(=O)(=O)c3ccc(C4CCCCC4)cc3)nc2N)cc1
InChIInChI=1S/C23H27N3O3S/c1-2-29-20-12-8-19(9-13-20)22-16-26(25-23(22)24)30(27,28)21-14-10-18(11-15-21)17-6-4-3-5-7-17/h8-17H,2-7H2,1H3,(H2,24,25)
InChIKeyRXXKSQYJYWWEFM-UHFFFAOYSA-N
XLogP4.82
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine (CID 1265810) is 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine is CCOc1ccc(-c2cn(S(=O)(=O)c3ccc(C4CCCCC4)cc3)nc2N)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine?
The InChIKey is RXXKSQYJYWWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-2-29-20-12-8-19(9-13-20)22-16-26(25-23(22)24)30(27,28)21-14-10-18(11-15-21)17-6-4-3-5-7-17/h8-17H,2-7H2,1H3,(H2,24,25).
What are the key properties of 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine?
1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine has a molecular weight of 425.55 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)sulfonyl-4-(4-ethoxyphenyl)pyrazol-3-amine is sourced from PubChem (CID 1265810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).