1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine

C10H8F3N3O2S — CID 61176219

IUPAC1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)19(17,18)8-3-1-7(2-4-8)16-6-5-9(14)15-16/h1-6H,(H2,14,15)
InChIKeyNZOVSOBYXDDHKV-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.75
Rot. Bonds2

About 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine

1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine (PubChem CID 61176219) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine
PubChem CID61176219
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)19(17,18)8-3-1-7(2-4-8)16-6-5-9(14)15-16/h1-6H,(H2,14,15)
InChIKeyNZOVSOBYXDDHKV-UHFFFAOYSA-N
XLogP1.75
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine?
The IUPAC name of 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine (CID 61176219) is 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine is Nc1ccn(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1.
What is the InChIKey of 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine?
The InChIKey is NZOVSOBYXDDHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c11-10(12,13)19(17,18)8-3-1-7(2-4-8)16-6-5-9(14)15-16/h1-6H,(H2,14,15).
What are the key properties of 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine?
1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine has a molecular weight of 291.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 61176219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).