4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine

C7H6FN3S — CID 46910467

IUPAC4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccs2)c1F
InChIInChI=1S/C7H6FN3S/c8-5-6(10-11-7(5)9)4-2-1-3-12-4/h1-3H,(H3,9,10,11)
InChIKeyYJNFCNAZXREDPO-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.86
Rot. Bonds1

About 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine

4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 46910467) has the molecular formula C7H6FN3S and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID46910467
Molecular FormulaC7H6FN3S
Molecular Weight183.21 g/mol
Exact Mass183.03
IUPAC Name4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccs2)c1F
InChIInChI=1S/C7H6FN3S/c8-5-6(10-11-7(5)9)4-2-1-3-12-4/h1-3H,(H3,9,10,11)
InChIKeyYJNFCNAZXREDPO-UHFFFAOYSA-N
XLogP1.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine (CID 46910467) is 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccs2)c1F.
What is the InChIKey of 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is YJNFCNAZXREDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3S/c8-5-6(10-11-7(5)9)4-2-1-3-12-4/h1-3H,(H3,9,10,11).
What are the key properties of 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine?
4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 183.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 46910467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).