3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine

C14H11ClFN3S — CID 83222348

IUPAC3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
SMILESCc1cc(F)ccc1-n1cc(N)c(-c2ccc(Cl)s2)n1
InChIInChI=1S/C14H11ClFN3S/c1-8-6-9(16)2-3-11(8)19-7-10(17)14(18-19)12-4-5-13(15)20-12/h2-7H,17H2,1H3
InChIKeyANZYTPBCIBOXRI-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.28
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine

3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine (PubChem CID 83222348) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
PubChem CID83222348
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
SMILESCc1cc(F)ccc1-n1cc(N)c(-c2ccc(Cl)s2)n1
InChIInChI=1S/C14H11ClFN3S/c1-8-6-9(16)2-3-11(8)19-7-10(17)14(18-19)12-4-5-13(15)20-12/h2-7H,17H2,1H3
InChIKeyANZYTPBCIBOXRI-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine (CID 83222348) is 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine is Cc1cc(F)ccc1-n1cc(N)c(-c2ccc(Cl)s2)n1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine?
The InChIKey is ANZYTPBCIBOXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-8-6-9(16)2-3-11(8)19-7-10(17)14(18-19)12-4-5-13(15)20-12/h2-7H,17H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine?
3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine has a molecular weight of 307.78 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83222348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).