4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine

C12H15N3O2S — CID 117417529

IUPAC4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)c(OC)cc1SC
InChIInChI=1S/C12H15N3O2S/c1-16-9-5-11(18-3)10(17-2)4-7(9)8-6-14-15-12(8)13/h4-6H,1-3H3,(H3,13,14,15)
InChIKeyUMNTZOPMHMHNKC-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.40
Rot. Bonds4

About 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine

4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine (PubChem CID 117417529) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
PubChem CID117417529
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)c(OC)cc1SC
InChIInChI=1S/C12H15N3O2S/c1-16-9-5-11(18-3)10(17-2)4-7(9)8-6-14-15-12(8)13/h4-6H,1-3H3,(H3,13,14,15)
InChIKeyUMNTZOPMHMHNKC-UHFFFAOYSA-N
XLogP2.40
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine (CID 117417529) is 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine is COc1cc(-c2cn[nH]c2N)c(OC)cc1SC.
What is the InChIKey of 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The InChIKey is UMNTZOPMHMHNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-16-9-5-11(18-3)10(17-2)4-7(9)8-6-14-15-12(8)13/h4-6H,1-3H3,(H3,13,14,15).
What are the key properties of 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine has a molecular weight of 265.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117417529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).