3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine

C13H12N4OS — CID 82881440

IUPAC3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(-c3nccs3)n2)c1
InChIInChI=1S/C13H12N4OS/c1-18-10-4-2-3-9(7-10)11-8-12(14)17(16-11)13-15-5-6-19-13/h2-8H,14H2,1H3
InChIKeyQQWHXXXVDOJUEC-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.59
Rot. Bonds3

About 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine

3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine (PubChem CID 82881440) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
PubChem CID82881440
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(-c3nccs3)n2)c1
InChIInChI=1S/C13H12N4OS/c1-18-10-4-2-3-9(7-10)11-8-12(14)17(16-11)13-15-5-6-19-13/h2-8H,14H2,1H3
InChIKeyQQWHXXXVDOJUEC-UHFFFAOYSA-N
XLogP2.59
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 43542770
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 126458326
2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine
CID 82192539
6-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939911
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82479019
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 20867089
3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880873
3-[4-(3-methoxyphenyl)imidazol-1-yl]aniline
CID 16666725
4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-[2-nitro-5-(1,3-thiazol-2-yl)phenyl]pyridazin-3-one
CID 69162212
[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
CID 28904662

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine (CID 82881440) is 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine is COc1cccc(-c2cc(N)n(-c3nccs3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The InChIKey is QQWHXXXVDOJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-18-10-4-2-3-9(7-10)11-8-12(14)17(16-11)13-15-5-6-19-13/h2-8H,14H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine has a molecular weight of 272.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 82881440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).