4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine

C10H9F2N3S — CID 117354767

IUPAC4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(SC(F)F)c1
InChIInChI=1S/C10H9F2N3S/c11-10(12)16-7-3-1-2-6(4-7)8-5-14-15-9(8)13/h1-5,10H,(H3,13,14,15)
InChIKeyVELPWZICKUDRQT-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.97
Rot. Bonds3

About 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine

4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117354767) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine
PubChem CID117354767
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(SC(F)F)c1
InChIInChI=1S/C10H9F2N3S/c11-10(12)16-7-3-1-2-6(4-7)8-5-14-15-9(8)13/h1-5,10H,(H3,13,14,15)
InChIKeyVELPWZICKUDRQT-UHFFFAOYSA-N
XLogP2.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine (CID 117354767) is 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc(SC(F)F)c1.
What is the InChIKey of 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is VELPWZICKUDRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c11-10(12)16-7-3-1-2-6(4-7)8-5-14-15-9(8)13/h1-5,10H,(H3,13,14,15).
What are the key properties of 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine?
4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 241.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117354767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).