1-phenyl-3-phenylsulfanylpyrazol-4-amine

C15H13N3S — CID 54034551

IUPAC1-phenyl-3-phenylsulfanylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C15H13N3S/c16-14-11-18(12-7-3-1-4-8-12)17-15(14)19-13-9-5-2-6-10-13/h1-11H,16H2
InChIKeyLHZFAHGWSUTKRA-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.61
Rot. Bonds3

About 1-phenyl-3-phenylsulfanylpyrazol-4-amine

1-phenyl-3-phenylsulfanylpyrazol-4-amine (PubChem CID 54034551) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-phenyl-3-phenylsulfanylpyrazol-4-amine.

Molecular Properties

Compound Name1-phenyl-3-phenylsulfanylpyrazol-4-amine
PubChem CID54034551
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name1-phenyl-3-phenylsulfanylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C15H13N3S/c16-14-11-18(12-7-3-1-4-8-12)17-15(14)19-13-9-5-2-6-10-13/h1-11H,16H2
InChIKeyLHZFAHGWSUTKRA-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-1-phenylpyrazol-4-amine
CID 57193043
3-cyclopentyl-1-phenylpyrazol-4-amine
CID 83217224
N-(4-amino-1-phenylpyrazol-3-yl)formamide
CID 87950545
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine
CID 106758594
3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
CID 17433375
2,3-bis(phenylsulfanyl)pyrazine
CID 86197506
5-bromo-2-phenylsulfanylpyridin-3-amine
CID 61228876
3-(4-bromo-2-fluorophenyl)-1-phenylpyrazol-4-amine
CID 83216844
6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 145061733
CID 66690055
CID 66690055

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-phenylsulfanylpyrazol-4-amine?
The IUPAC name of 1-phenyl-3-phenylsulfanylpyrazol-4-amine (CID 54034551) is 1-phenyl-3-phenylsulfanylpyrazol-4-amine.
What is the SMILES notation for 1-phenyl-3-phenylsulfanylpyrazol-4-amine?
The canonical SMILES for 1-phenyl-3-phenylsulfanylpyrazol-4-amine is Nc1cn(-c2ccccc2)nc1Sc1ccccc1.
What is the InChIKey of 1-phenyl-3-phenylsulfanylpyrazol-4-amine?
The InChIKey is LHZFAHGWSUTKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-14-11-18(12-7-3-1-4-8-12)17-15(14)19-13-9-5-2-6-10-13/h1-11H,16H2.
What are the key properties of 1-phenyl-3-phenylsulfanylpyrazol-4-amine?
1-phenyl-3-phenylsulfanylpyrazol-4-amine has a molecular weight of 267.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenylsulfanylpyrazol-4-amine is sourced from PubChem (CID 54034551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).