1-(4-fluorophenyl)-4-phenylpyrazol-3-amine

C15H12FN3 — CID 70304107

IUPAC1-(4-fluorophenyl)-4-phenylpyrazol-3-amine
SMILESNc1nn(-c2ccc(F)cc2)cc1-c1ccccc1
InChIInChI=1S/C15H12FN3/c16-12-6-8-13(9-7-12)19-10-14(15(17)18-19)11-4-2-1-3-5-11/h1-10H,(H2,17,18)
InChIKeyRBCBZXASCREOJY-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.26
Rot. Bonds2

About 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine

1-(4-fluorophenyl)-4-phenylpyrazol-3-amine (PubChem CID 70304107) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-phenylpyrazol-3-amine
PubChem CID70304107
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name1-(4-fluorophenyl)-4-phenylpyrazol-3-amine
SMILESNc1nn(-c2ccc(F)cc2)cc1-c1ccccc1
InChIInChI=1S/C15H12FN3/c16-12-6-8-13(9-7-12)19-10-14(15(17)18-19)11-4-2-1-3-5-11/h1-10H,(H2,17,18)
InChIKeyRBCBZXASCREOJY-UHFFFAOYSA-N
XLogP3.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine (CID 70304107) is 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine is Nc1nn(-c2ccc(F)cc2)cc1-c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine?
The InChIKey is RBCBZXASCREOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-12-6-8-13(9-7-12)19-10-14(15(17)18-19)11-4-2-1-3-5-11/h1-10H,(H2,17,18).
What are the key properties of 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine?
1-(4-fluorophenyl)-4-phenylpyrazol-3-amine has a molecular weight of 253.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-phenylpyrazol-3-amine is sourced from PubChem (CID 70304107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).