N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride

C20H27ClFN5O2 — CID 119480273

IUPACN-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
SMILESCCc1c(C(=O)N2CCCC(C(=O)NCCN)C2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H26FN5O2.ClH/c1-2-18-17(12-24-26(18)16-7-5-15(21)6-8-16)20(28)25-11-3-4-14(13-25)19(27)23-10-9-22;/h5-8,12,14H,2-4,9-11,13,22H2,1H3,(H,23,27);1H
InChIKeyVMONKGGZJZXRKZ-UHFFFAOYSA-N
MW423.92 g/mol
LogP1.92
Rot. Bonds6

About N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119480273) has the molecular formula C20H27ClFN5O2 and a molecular weight of 423.92 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119480273
Molecular FormulaC20H27ClFN5O2
Molecular Weight423.92 g/mol
Exact Mass423.18
IUPAC NameN-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
SMILESCCc1c(C(=O)N2CCCC(C(=O)NCCN)C2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H26FN5O2.ClH/c1-2-18-17(12-24-26(18)16-7-5-15(21)6-8-16)20(28)25-11-3-4-14(13-25)19(27)23-10-9-22;/h5-8,12,14H,2-4,9-11,13,22H2,1H3,(H,23,27);1H
InChIKeyVMONKGGZJZXRKZ-UHFFFAOYSA-N
XLogP1.92
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173520
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815469
N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119479456
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886741
N-(2-aminoethyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481306
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 20915404
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166052
(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone
CID 46589101
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815923

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride (CID 119480273) is N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride is CCc1c(C(=O)N2CCCC(C(=O)NCCN)C2)cnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is VMONKGGZJZXRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2.ClH/c1-2-18-17(12-24-26(18)16-7-5-15(21)6-8-16)20(28)25-11-3-4-14(13-25)19(27)23-10-9-22;/h5-8,12,14H,2-4,9-11,13,22H2,1H3,(H,23,27);1H.
What are the key properties of N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 423.92 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119480273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).