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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Related Compounds

1-[(3,4-dimethoxyphenyl)sulfonyl]-3-(4-ethoxyphenyl)-1H-pyrazol-5-amine
CID 9550520
2-(4-Fluoro-3-methylphenyl)sulfonyl-5-(2-methoxyphenyl)-3-pyrazolamine
CID 5307562
1-[(2,5-dimethoxyphenyl)sulfonyl]-3-phenyl-1H-pyrazol-5-amine
CID 5309703
5-(3,4-Dimethoxyphenyl)-2-(4-fluorophenyl)sulfonyl-3-pyrazolamine
CID 9551529
3-(2,4-dimethoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-amine
CID 9551561
N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 162646634
5-(4-Chlorophenyl)-2-(4-methoxyphenyl)sulfonyl-3-pyrazolamine
CID 16194489
N-[2-[5-(2-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56666642
4-(2-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 2222458
1-Benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine
CID 5307700
3-(4-methoxyphenyl)-1-(propylsulfonyl)-1H-pyrazol-5-amine
CID 9550526
3-(4-Ethoxyphenyl)-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-5-amine
CID 9551528

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).