3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine

C8H8FN3S — CID 130594195

IUPAC3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2sccc2F)cc1N
InChIInChI=1S/C8H8FN3S/c1-12-7(10)4-6(11-12)8-5(9)2-3-13-8/h2-4H,10H2,1H3
InChIKeyBKVATZNVIKILDS-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.87
Rot. Bonds1

About 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine

3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine (PubChem CID 130594195) has the molecular formula C8H8FN3S and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine
PubChem CID130594195
Molecular FormulaC8H8FN3S
Molecular Weight197.24 g/mol
Exact Mass197.04
IUPAC Name3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2sccc2F)cc1N
InChIInChI=1S/C8H8FN3S/c1-12-7(10)4-6(11-12)8-5(9)2-3-13-8/h2-4H,10H2,1H3
InChIKeyBKVATZNVIKILDS-UHFFFAOYSA-N
XLogP1.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine (CID 130594195) is 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2sccc2F)cc1N.
What is the InChIKey of 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is BKVATZNVIKILDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3S/c1-12-7(10)4-6(11-12)8-5(9)2-3-13-8/h2-4H,10H2,1H3.
What are the key properties of 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine?
3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 197.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorothiophen-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 130594195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).