4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine

C13H15N3O2S — CID 117444360

IUPAC4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
SMILESCOc1ccc(-c2cn[nH]c2N)cc1OC1CSC1
InChIInChI=1S/C13H15N3O2S/c1-17-11-3-2-8(10-5-15-16-13(10)14)4-12(11)18-9-6-19-7-9/h2-5,9H,6-7H2,1H3,(H3,14,15,16)
InChIKeyJEZVVGUQSXQYLG-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.16
Rot. Bonds4

About 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine

4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 117444360) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
PubChem CID117444360
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
SMILESCOc1ccc(-c2cn[nH]c2N)cc1OC1CSC1
InChIInChI=1S/C13H15N3O2S/c1-17-11-3-2-8(10-5-15-16-13(10)14)4-12(11)18-9-6-19-7-9/h2-5,9H,6-7H2,1H3,(H3,14,15,16)
InChIKeyJEZVVGUQSXQYLG-UHFFFAOYSA-N
XLogP2.16
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117470689
4-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]-1H-pyrazol-5-amine
CID 117494110
4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117438444
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117465913
3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117446070
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
CID 117401936
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117338159
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117418426
4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491641
4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117473928
4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491639

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine (CID 117444360) is 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine is COc1ccc(-c2cn[nH]c2N)cc1OC1CSC1.
What is the InChIKey of 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is JEZVVGUQSXQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-17-11-3-2-8(10-5-15-16-13(10)14)4-12(11)18-9-6-19-7-9/h2-5,9H,6-7H2,1H3,(H3,14,15,16).
What are the key properties of 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 277.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117444360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).