N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide

C24H31FN4O2 — CID 52666476

IUPACN-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1
InChIInChI=1S/C24H31FN4O2/c1-3-4-14-27(2)23(30)17-12-15-28(16-13-17)24(31)22-20-6-5-7-21(20)29(26-22)19-10-8-18(25)9-11-19/h8-11,17H,3-7,12-16H2,1-2H3
InChIKeyOWRDSQGMPGVOQG-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.61
Rot. Bonds6

About N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 52666476) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide
PubChem CID52666476
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC NameN-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1
InChIInChI=1S/C24H31FN4O2/c1-3-4-14-27(2)23(30)17-12-15-28(16-13-17)24(31)22-20-6-5-7-21(20)29(26-22)19-10-8-18(25)9-11-19/h8-11,17H,3-7,12-16H2,1-2H3
InChIKeyOWRDSQGMPGVOQG-UHFFFAOYSA-N
XLogP3.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 55702702
N-butyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 52666453
1-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24660925
1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119166353
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
(3S)-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119113579
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75495801
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389
N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide
CID 49051196
1-(4-fluorophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18279681
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560090
2-[ethyl-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 119206416

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide (CID 52666476) is N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1.
What is the InChIKey of N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is OWRDSQGMPGVOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-3-4-14-27(2)23(30)17-12-15-28(16-13-17)24(31)22-20-6-5-7-21(20)29(26-22)19-10-8-18(25)9-11-19/h8-11,17H,3-7,12-16H2,1-2H3.
What are the key properties of N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 52666476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).