4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine

C14H11ClFN3S — CID 43336345

IUPAC4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
SMILESCn1nc(-c2ccsc2)c(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C14H11ClFN3S/c1-19-14(17)12(11-9(15)3-2-4-10(11)16)13(18-19)8-5-6-20-7-8/h2-7H,17H2,1H3
InChIKeyFUFGWKWUMVROAA-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.19
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine

4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine (PubChem CID 43336345) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
PubChem CID43336345
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
SMILESCn1nc(-c2ccsc2)c(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C14H11ClFN3S/c1-19-14(17)12(11-9(15)3-2-4-10(11)16)13(18-19)8-5-6-20-7-8/h2-7H,17H2,1H3
InChIKeyFUFGWKWUMVROAA-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.19
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)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine (CID 43336345) is 4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine is Cn1nc(-c2ccsc2)c(-c2c(F)cccc2Cl)c1N.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
The InChIKey is FUFGWKWUMVROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-19-14(17)12(11-9(15)3-2-4-10(11)16)13(18-19)8-5-6-20-7-8/h2-7H,17H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
4-(2-chloro-6-fluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine has a molecular weight of 307.78 g/mol, XLogP of 4.19, 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)-1-methyl-3-thiophen-3-ylpyrazol-5-amine is sourced from PubChem (CID 43336345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).