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

C14H12FN3S — CID 83222270

IUPAC1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccsc1-c1nn(-c2cccc(F)c2)cc1N
InChIInChI=1S/C14H12FN3S/c1-9-5-6-19-14(9)13-12(16)8-18(17-13)11-4-2-3-10(15)7-11/h2-8H,16H2,1H3
InChIKeyHFKVVTJCSXWAFE-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.63
Rot. Bonds2

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

1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83222270) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
PubChem CID83222270
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccsc1-c1nn(-c2cccc(F)c2)cc1N
InChIInChI=1S/C14H12FN3S/c1-9-5-6-19-14(9)13-12(16)8-18(17-13)11-4-2-3-10(15)7-11/h2-8H,16H2,1H3
InChIKeyHFKVVTJCSXWAFE-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine (CID 83222270) is 1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine is Cc1ccsc1-c1nn(-c2cccc(F)c2)cc1N.
What is the InChIKey of 1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is HFKVVTJCSXWAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-9-5-6-19-14(9)13-12(16)8-18(17-13)11-4-2-3-10(15)7-11/h2-8H,16H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83222270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).