[4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C24H26ClN5O3 — CID 20918575

IUPAC[4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)CC1
InChIInChI=1S/C24H26ClN5O3/c25-18-3-5-19(6-4-18)30-22(17-7-9-26-10-8-17)20(16-27-30)23(31)28-11-13-29(14-12-28)24(32)21-2-1-15-33-21/h1-6,15-17,26H,7-14H2
InChIKeySHZYUSMLRDCVOQ-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.18
Rot. Bonds4

About [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 20918575) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID20918575
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC Name[4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)CC1
InChIInChI=1S/C24H26ClN5O3/c25-18-3-5-19(6-4-18)30-22(17-7-9-26-10-8-17)20(16-27-30)23(31)28-11-13-29(14-12-28)24(32)21-2-1-15-33-21/h1-6,15-17,26H,7-14H2
InChIKeySHZYUSMLRDCVOQ-UHFFFAOYSA-N
XLogP3.18
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2367657
[4-[1-(3-Fluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16023269
Tert-butyl 4-[1-(3-chlorophenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 16023829
Tert-butyl 4-[1-(2,4-difluorophenyl)-4-(furan-2-ylmethylcarbamoyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023978
tert-butyl 4-(1-(2,4-difluorophenyl)-4-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate
CID 16024032
Tert-butyl 4-[4-(furan-2-ylmethylcarbamoyl)-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16024120
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16191279
[4-[3-(4-Fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16322920
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide
CID 155541357
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide
CID 155545670
2-Chloro-N-{4-[4-(furan-2-carbonyl)piperazin-1-YL]phenyl}pyridine-3-carboxamide
CID 1088831
Furan-2-carboxylic acid (4-chloro-phenyl)-(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-amide
CID 3196531

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 20918575) is [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)CC1.
What is the InChIKey of [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SHZYUSMLRDCVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c25-18-3-5-19(6-4-18)30-22(17-7-9-26-10-8-17)20(16-27-30)23(31)28-11-13-29(14-12-28)24(32)21-2-1-15-33-21/h1-6,15-17,26H,7-14H2.
What are the key properties of [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 467.96 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 20918575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).