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

C14H17N3O2S — CID 117470689

IUPAC4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
SMILESCOc1ccc(-c2cn[nH]c2N)cc1OC1CCSC1
InChIInChI=1S/C14H17N3O2S/c1-18-12-3-2-9(11-7-16-17-14(11)15)6-13(12)19-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H3,15,16,17)
InChIKeyHWUHSRRKBZGZEC-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.55
Rot. Bonds4

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

4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 117470689) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
PubChem CID117470689
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
SMILESCOc1ccc(-c2cn[nH]c2N)cc1OC1CCSC1
InChIInChI=1S/C14H17N3O2S/c1-18-12-3-2-9(11-7-16-17-14(11)15)6-13(12)19-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H3,15,16,17)
InChIKeyHWUHSRRKBZGZEC-UHFFFAOYSA-N
XLogP2.55
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117444360
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
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine
CID 117470678
4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491641
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
CID 117401936
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491639
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane
CID 54051330

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine (CID 117470689) is 4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine is COc1ccc(-c2cn[nH]c2N)cc1OC1CCSC1.
What is the InChIKey of 4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is HWUHSRRKBZGZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-18-12-3-2-9(11-7-16-17-14(11)15)6-13(12)19-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H3,15,16,17).
What are the key properties of 4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 291.38 g/mol, XLogP of 2.55, 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-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117470689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).