1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine

C14H13N3OS — CID 83216745

IUPAC1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine
SMILESCOc1ccc(-n2cc(N)c(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H13N3OS/c1-18-12-4-2-11(3-5-12)17-8-13(15)14(16-17)10-6-7-19-9-10/h2-9H,15H2,1H3
InChIKeyBEDCWNHBODGUMM-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.19
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine

1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine (PubChem CID 83216745) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine
PubChem CID83216745
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine
SMILESCOc1ccc(-n2cc(N)c(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H13N3OS/c1-18-12-4-2-11(3-5-12)17-8-13(15)14(16-17)10-6-7-19-9-10/h2-9H,15H2,1H3
InChIKeyBEDCWNHBODGUMM-UHFFFAOYSA-N
XLogP3.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83205030
3-(3-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83204335
(E)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 10068737
3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine
CID 83204322
1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine
CID 83205397
1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole
CID 101180383
1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine
CID 83222729
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole
CID 155815622
4-[(3R)-5-(2,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-3-ylpyrazole
CID 99801629
1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole
CID 57424026
5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole
CID 138006139

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine (CID 83216745) is 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine is COc1ccc(-n2cc(N)c(-c3ccsc3)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine?
The InChIKey is BEDCWNHBODGUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-12-4-2-11(3-5-12)17-8-13(15)14(16-17)10-6-7-19-9-10/h2-9H,15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine?
1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine has a molecular weight of 271.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine is sourced from PubChem (CID 83216745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).