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

C14H17N3O2S — CID 117470678

IUPAC5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine
SMILESCOc1cc(-c2cc(N)n[nH]2)ccc1OC1CCSC1
InChIInChI=1S/C14H17N3O2S/c1-18-13-6-9(11-7-14(15)17-16-11)2-3-12(13)19-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H3,15,16,17)
InChIKeyXPYKWJRVHZHUOJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.55
Rot. Bonds4

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

5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine (PubChem CID 117470678) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine
PubChem CID117470678
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine
SMILESCOc1cc(-c2cc(N)n[nH]2)ccc1OC1CCSC1
InChIInChI=1S/C14H17N3O2S/c1-18-13-6-9(11-7-14(15)17-16-11)2-3-12(13)19-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H3,15,16,17)
InChIKeyXPYKWJRVHZHUOJ-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

5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117470689
4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491639
3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491631
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117391644
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
5-(3-amino-1H-pyrazol-5-yl)-2-methoxyphenol
CID 130019057
5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117338097
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-2-methylpyrrolidine
CID 117473686
4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491641

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine (CID 117470678) is 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine is COc1cc(-c2cc(N)n[nH]2)ccc1OC1CCSC1.
What is the InChIKey of 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine?
The InChIKey is XPYKWJRVHZHUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-18-13-6-9(11-7-14(15)17-16-11)2-3-12(13)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 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine?
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-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 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117470678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).