1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one

C19H18FN3O — CID 90428436

IUPAC1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one
SMILESCCC(=O)n1nc(-c2ccccc2)cc1NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-2-19(24)23-18(21-13-14-8-10-16(20)11-9-14)12-17(22-23)15-6-4-3-5-7-15/h3-12,21H,2,13H2,1H3
InChIKeyCOBQUVAXSMTDGK-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.35
Rot. Bonds5

About 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one

1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one (PubChem CID 90428436) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one
PubChem CID90428436
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one
SMILESCCC(=O)n1nc(-c2ccccc2)cc1NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-2-19(24)23-18(21-13-14-8-10-16(20)11-9-14)12-17(22-23)15-6-4-3-5-7-15/h3-12,21H,2,13H2,1H3
InChIKeyCOBQUVAXSMTDGK-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one?
The IUPAC name of 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one (CID 90428436) is 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one is CCC(=O)n1nc(-c2ccccc2)cc1NCc1ccc(F)cc1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one?
The InChIKey is COBQUVAXSMTDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-2-19(24)23-18(21-13-14-8-10-16(20)11-9-14)12-17(22-23)15-6-4-3-5-7-15/h3-12,21H,2,13H2,1H3.
What are the key properties of 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one?
1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one has a molecular weight of 323.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methylamino]-3-phenylpyrazol-1-yl]propan-1-one is sourced from PubChem (CID 90428436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).