cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone

C24H23FN4O2 — CID 17430545

IUPACcyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H23FN4O2/c25-19-10-8-17(9-11-19)22-21(16-29(26-22)20-4-2-1-3-5-20)24(31)28-14-12-27(13-15-28)23(30)18-6-7-18/h1-5,8-11,16,18H,6-7,12-15H2
InChIKeyRTQBDAXOOFNDDU-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.37
Rot. Bonds4

About cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 17430545) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID17430545
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Namecyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H23FN4O2/c25-19-10-8-17(9-11-19)22-21(16-29(26-22)20-4-2-1-3-5-20)24(31)28-14-12-27(13-15-28)23(30)18-6-7-18/h1-5,8-11,16,18H,6-7,12-15H2
InChIKeyRTQBDAXOOFNDDU-UHFFFAOYSA-N
XLogP3.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55850978
[1-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949559
[1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469903
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
1-[4-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202210
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
(1,3-diphenylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2475806
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone (CID 17430545) is cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone is O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is RTQBDAXOOFNDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-19-10-8-17(9-11-19)22-21(16-29(26-22)20-4-2-1-3-5-20)24(31)28-14-12-27(13-15-28)23(30)18-6-7-18/h1-5,8-11,16,18H,6-7,12-15H2.
What are the key properties of cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 418.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 17430545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).