(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

C24H25FN4O — CID 9291764

IUPAC(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H25FN4O/c25-21-9-5-4-6-19(21)17-27-12-14-28(15-13-27)24(30)23-16-22(18-10-11-18)26-29(23)20-7-2-1-3-8-20/h1-9,16,18H,10-15,17H2
InChIKeyZZSPVSLTDCXSPU-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.85
Rot. Bonds5

About (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 9291764) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID9291764
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H25FN4O/c25-21-9-5-4-6-19(21)17-27-12-14-28(15-13-27)24(30)23-16-22(18-10-11-18)26-29(23)20-7-2-1-3-8-20/h1-9,16,18H,10-15,17H2
InChIKeyZZSPVSLTDCXSPU-UHFFFAOYSA-N
XLogP3.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 9291764) is (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZZSPVSLTDCXSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-21-9-5-4-6-19(21)17-27-12-14-28(15-13-27)24(30)23-16-22(18-10-11-18)26-29(23)20-7-2-1-3-8-20/h1-9,16,18H,10-15,17H2.
What are the key properties of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 404.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 9291764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).