1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine

C14H11ClFN3S — CID 83217335

IUPAC1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccsc1-c1nn(-c2ccc(Cl)c(F)c2)cc1N
InChIInChI=1S/C14H11ClFN3S/c1-8-4-5-20-14(8)13-12(17)7-19(18-13)9-2-3-10(15)11(16)6-9/h2-7H,17H2,1H3
InChIKeyLHDWZKZZCOXIPQ-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.28
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine

1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83217335) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
PubChem CID83217335
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccsc1-c1nn(-c2ccc(Cl)c(F)c2)cc1N
InChIInChI=1S/C14H11ClFN3S/c1-8-4-5-20-14(8)13-12(17)7-19(18-13)9-2-3-10(15)11(16)6-9/h2-7H,17H2,1H3
InChIKeyLHDWZKZZCOXIPQ-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 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine (CID 83217335) is 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine is Cc1ccsc1-c1nn(-c2ccc(Cl)c(F)c2)cc1N.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is LHDWZKZZCOXIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-8-4-5-20-14(8)13-12(17)7-19(18-13)9-2-3-10(15)11(16)6-9/h2-7H,17H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)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 1-(4-chloro-3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83217335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).