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

C13H17N3O3S — CID 104519640

IUPAC4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2C(C)S(C)(=O)=O)cc1
InChIInChI=1S/C13H17N3O3S/c1-8(20(3,17)18)12-11(13(14)16-15-12)9-4-6-10(19-2)7-5-9/h4-8H,1-3H3,(H3,14,15,16)
InChIKeyRCAGVNMBBGABGV-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.77
Rot. Bonds4

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

4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine (PubChem CID 104519640) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
PubChem CID104519640
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2C(C)S(C)(=O)=O)cc1
InChIInChI=1S/C13H17N3O3S/c1-8(20(3,17)18)12-11(13(14)16-15-12)9-4-6-10(19-2)7-5-9/h4-8H,1-3H3,(H3,14,15,16)
InChIKeyRCAGVNMBBGABGV-UHFFFAOYSA-N
XLogP1.77
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519635
5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 104519732
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 75530669
4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519661
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519711
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 82089340
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198552
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957
4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62907421

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine (CID 104519640) is 4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine is COc1ccc(-c2c(N)n[nH]c2C(C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
The InChIKey is RCAGVNMBBGABGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8(20(3,17)18)12-11(13(14)16-15-12)9-4-6-10(19-2)7-5-9/h4-8H,1-3H3,(H3,14,15,16).
What are the key properties of 4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine has a molecular weight of 295.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 104519640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).