3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

C15H14ClN3OS — CID 62500518

IUPAC3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1cc(Cl)ccc1-c1nn(C)c(N)c1-c1cccs1
InChIInChI=1S/C15H14ClN3OS/c1-19-15(17)13(12-4-3-7-21-12)14(18-19)10-6-5-9(16)8-11(10)20-2/h3-8H,17H2,1-2H3
InChIKeyHEUORVOSEBMOIY-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.06
Rot. Bonds3

About 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 62500518) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
PubChem CID62500518
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1cc(Cl)ccc1-c1nn(C)c(N)c1-c1cccs1
InChIInChI=1S/C15H14ClN3OS/c1-19-15(17)13(12-4-3-7-21-12)14(18-19)10-6-5-9(16)8-11(10)20-2/h3-8H,17H2,1-2H3
InChIKeyHEUORVOSEBMOIY-UHFFFAOYSA-N
XLogP4.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62504567
3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62501713
3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 107962694
3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500702
3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 55079033
1-methyl-4-thiophen-2-yl-3-thiophen-3-ylpyrazol-5-amine
CID 62501208
3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62503065
4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122906
4-(3-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122516
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
CID 43336416
3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 80644808

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (CID 62500518) is 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is COc1cc(Cl)ccc1-c1nn(C)c(N)c1-c1cccs1.
What is the InChIKey of 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is HEUORVOSEBMOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-19-15(17)13(12-4-3-7-21-12)14(18-19)10-6-5-9(16)8-11(10)20-2/h3-8H,17H2,1-2H3.
What are the key properties of 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 319.82 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 62500518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).