1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine

C18H19N3OS — CID 122229440

IUPAC1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(C)c(Sc3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C18H19N3OS/c1-12-4-10-16(11-5-12)23-17-13(2)20-21(18(17)19)14-6-8-15(22-3)9-7-14/h4-11H,19H2,1-3H3
InChIKeyZYMXHXUIUHKFIR-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.23
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine

1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine (PubChem CID 122229440) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine
PubChem CID122229440
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(C)c(Sc3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C18H19N3OS/c1-12-4-10-16(11-5-12)23-17-13(2)20-21(18(17)19)14-6-8-15(22-3)9-7-14/h4-11H,19H2,1-3H3
InChIKeyZYMXHXUIUHKFIR-UHFFFAOYSA-N
XLogP4.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole
CID 23731442
4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100561110
4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine
CID 142740939
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
4-(4-methoxyphenyl)sulfanyl-3,5-dimethyl-1H-pyrazole
CID 139234715
3-(4-methoxyphenyl)sulfanyl-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
CID 135008910
5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66026174
1-(113C)methoxy-4-methylbenzene
CID 166176950
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
[3-methyl-4-(4-methylphenyl)sulfanyl-1-phenylpyrazol-5-yl] 2-methoxyacetate
CID 2153747

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine (CID 122229440) is 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine is COc1ccc(-n2nc(C)c(Sc3ccc(C)cc3)c2N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine?
The InChIKey is ZYMXHXUIUHKFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-4-10-16(11-5-12)23-17-13(2)20-21(18(17)19)14-6-8-15(22-3)9-7-14/h4-11H,19H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine?
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine has a molecular weight of 325.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine is sourced from PubChem (CID 122229440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).