[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C23H24FN5O3 — CID 78848478

IUPAC[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H24FN5O3/c24-17-5-7-18(8-6-17)29-21(26-9-1-2-10-26)19(16-25-29)22(30)27-11-13-28(14-12-27)23(31)20-4-3-15-32-20/h1-2,5-10,16,20H,3-4,11-15H2
InChIKeyQDIHOXKKHHLJJE-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.27
Rot. Bonds4

About [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 78848478) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID78848478
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H24FN5O3/c24-17-5-7-18(8-6-17)29-21(26-9-1-2-10-26)19(16-25-29)22(30)27-11-13-28(14-12-27)23(31)20-4-3-15-32-20/h1-2,5-10,16,20H,3-4,11-15H2
InChIKeyQDIHOXKKHHLJJE-UHFFFAOYSA-N
XLogP2.27
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915390
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 55550996
(3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 56533382
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 20915402
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20915096
ethyl (3S)-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 29227904
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 20915110
4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55371330
N-butyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 52666453
[4-[7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51390088
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 78848478) is [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is QDIHOXKKHHLJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c24-17-5-7-18(8-6-17)29-21(26-9-1-2-10-26)19(16-25-29)22(30)27-11-13-28(14-12-27)23(31)20-4-3-15-32-20/h1-2,5-10,16,20H,3-4,11-15H2.
What are the key properties of [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 437.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 78848478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).