1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine

C22H25N3O3S — CID 20873580

IUPAC1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C22H25N3O3S/c1-28-21-10-6-5-9-19(21)20-15-22(23)25(24-20)29(26,27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h5-6,9-16H,2-4,7-8,23H2,1H3
InChIKeyYUROLWKDBPAQMV-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.43
Rot. Bonds5

About 1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine

1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine (PubChem CID 20873580) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
PubChem CID20873580
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C22H25N3O3S/c1-28-21-10-6-5-9-19(21)20-15-22(23)25(24-20)29(26,27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h5-6,9-16H,2-4,7-8,23H2,1H3
InChIKeyYUROLWKDBPAQMV-UHFFFAOYSA-N
XLogP4.43
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.43
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-3-(2-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine (CID 20873580) is 1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine is COc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine?
The InChIKey is YUROLWKDBPAQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-28-21-10-6-5-9-19(21)20-15-22(23)25(24-20)29(26,27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h5-6,9-16H,2-4,7-8,23H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine?
1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine has a molecular weight of 411.53 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 20873580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).