1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine

C11H13N3OS — CID 83872098

IUPAC1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine
SMILESCOc1ccc(-n2nc(N)cc2SC)cc1
InChIInChI=1S/C11H13N3OS/c1-15-9-5-3-8(4-6-9)14-11(16-2)7-10(12)13-14/h3-7H,1-2H3,(H2,12,13)
InChIKeyDTSCYDNQQZTQLC-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.18
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine

1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine (PubChem CID 83872098) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine
PubChem CID83872098
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine
SMILESCOc1ccc(-n2nc(N)cc2SC)cc1
InChIInChI=1S/C11H13N3OS/c1-15-9-5-3-8(4-6-9)14-11(16-2)7-10(12)13-14/h3-7H,1-2H3,(H2,12,13)
InChIKeyDTSCYDNQQZTQLC-UHFFFAOYSA-N
XLogP2.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol
CID 83872099
3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 83864095
1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole
CID 13019898
4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807541
3-(diethylaminomethyl)-1-(4-methoxyphenyl)pyrazol-5-amine
CID 82171816
methyl 1-(4-methoxyphenyl)-3-methylsulfanylpyrazole-5-carboxylate
CID 18177273
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
5-amino-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817614
[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072981
6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
CID 824695
5-ethyl-1-(4-methoxyphenyl)pyrazol-4-amine
CID 66441037

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine (CID 83872098) is 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine is COc1ccc(-n2nc(N)cc2SC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine?
The InChIKey is DTSCYDNQQZTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-9-5-3-8(4-6-9)14-11(16-2)7-10(12)13-14/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine?
1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine has a molecular weight of 235.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine is sourced from PubChem (CID 83872098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).