4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine

C14H10Cl2FN3S — CID 62277454

IUPAC4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)s2)c(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C14H10Cl2FN3S/c1-20-14(18)12(11-7(15)3-2-4-8(11)17)13(19-20)9-5-6-10(16)21-9/h2-6H,18H2,1H3
InChIKeyRPJHWAKEMYQXFB-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.84
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine

4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine (PubChem CID 62277454) has the molecular formula C14H10Cl2FN3S and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine
PubChem CID62277454
Molecular FormulaC14H10Cl2FN3S
Molecular Weight342.23 g/mol
Exact Mass341.00
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)s2)c(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C14H10Cl2FN3S/c1-20-14(18)12(11-7(15)3-2-4-8(11)17)13(19-20)9-5-6-10(16)21-9/h2-6H,18H2,1H3
InChIKeyRPJHWAKEMYQXFB-UHFFFAOYSA-N
XLogP4.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine (CID 62277454) is 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Cl)s2)c(-c2c(F)cccc2Cl)c1N.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is RPJHWAKEMYQXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3S/c1-20-14(18)12(11-7(15)3-2-4-8(11)17)13(19-20)9-5-6-10(16)21-9/h2-6H,18H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 342.23 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 62277454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).