4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine

C15H14ClN3OS — CID 81122906

IUPAC4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCOc1csc(-c2nn(C)c(N)c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClN3OS/c1-19-15(17)13(9-3-5-10(16)6-4-9)14(18-19)12-7-11(20-2)8-21-12/h3-8H,17H2,1-2H3
InChIKeyCBLNEDUCZSTVLD-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.06
Rot. Bonds3

About 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine

4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine (PubChem CID 81122906) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
PubChem CID81122906
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCOc1csc(-c2nn(C)c(N)c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClN3OS/c1-19-15(17)13(9-3-5-10(16)6-4-9)14(18-19)12-7-11(20-2)8-21-12/h3-8H,17H2,1-2H3
InChIKeyCBLNEDUCZSTVLD-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine (CID 81122906) is 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine is COc1csc(-c2nn(C)c(N)c2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is CBLNEDUCZSTVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-19-15(17)13(9-3-5-10(16)6-4-9)14(18-19)12-7-11(20-2)8-21-12/h3-8H,17H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine?
4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-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 4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 81122906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).