1,3-bis(4-fluorophenyl)pyrazol-5-amine

C15H11F2N3 — CID 3459102

IUPAC1,3-bis(4-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(F)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyNPUXAMBGXDZITB-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.40
Rot. Bonds2

About 1,3-bis(4-fluorophenyl)pyrazol-5-amine

1,3-bis(4-fluorophenyl)pyrazol-5-amine (PubChem CID 3459102) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)pyrazol-5-amine
PubChem CID3459102
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name1,3-bis(4-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(F)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyNPUXAMBGXDZITB-UHFFFAOYSA-N
XLogP3.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
ML297
CID 56642816
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 778073
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 1,3-bis(4-fluorophenyl)pyrazol-5-amine (CID 3459102) is 1,3-bis(4-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 1,3-bis(4-fluorophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(F)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)pyrazol-5-amine?
The InChIKey is NPUXAMBGXDZITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2.
What are the key properties of 1,3-bis(4-fluorophenyl)pyrazol-5-amine?
1,3-bis(4-fluorophenyl)pyrazol-5-amine has a molecular weight of 271.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 3459102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).