4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine

C14H19N3O3S — CID 104519661

IUPAC4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
SMILESCOc1ccc(-c2c(C(C)S(C)(=O)=O)nn(C)c2N)cc1
InChIInChI=1S/C14H19N3O3S/c1-9(21(4,18)19)13-12(14(15)17(2)16-13)10-5-7-11(20-3)8-6-10/h5-9H,15H2,1-4H3
InChIKeyGKFAWTQGFUDYTC-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.78
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine

4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine (PubChem CID 104519661) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
PubChem CID104519661
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
SMILESCOc1ccc(-c2c(C(C)S(C)(=O)=O)nn(C)c2N)cc1
InChIInChI=1S/C14H19N3O3S/c1-9(21(4,18)19)13-12(14(15)17(2)16-13)10-5-7-11(20-3)8-6-10/h5-9H,15H2,1-4H3
InChIKeyGKFAWTQGFUDYTC-UHFFFAOYSA-N
XLogP1.78
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519653
4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519640
3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80523679
4-(4-methoxyphenyl)-1-methyl-3-(1-methylpyrazol-3-yl)pyrazol-5-amine
CID 103118706
4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336687
3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 43158655
4-(4-methoxyphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62824966
4-(4-methoxyphenyl)-1-methyl-3-(2-methylcyclopentyl)pyrazol-5-amine
CID 107179165
6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17229462
3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-4-phenylpyrazole
CID 19041418
2-amino-4-(4-methoxyphenyl)-1-methyl-5-sulfonatosulfanylimidazole
CID 102148462
5-(4-methoxyphenyl)-3-methyltriazol-4-amine
CID 83638320

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine (CID 104519661) is 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine is COc1ccc(-c2c(C(C)S(C)(=O)=O)nn(C)c2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine?
The InChIKey is GKFAWTQGFUDYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(21(4,18)19)13-12(14(15)17(2)16-13)10-5-7-11(20-3)8-6-10/h5-9H,15H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine?
4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine has a molecular weight of 309.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine is sourced from PubChem (CID 104519661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).