[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C21H25ClN4O2 — CID 119394838

IUPAC[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-22-14-16-7-5-11-24(15-16)21(26)19-13-18(20-10-6-12-27-20)23-25(19)17-8-3-2-4-9-17;/h2-4,6,8-10,12-13,16,22H,5,7,11,14-15H2,1H3;1H
InChIKeyYAOLVVNGZPHECS-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.63
Rot. Bonds5

About [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119394838) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119394838
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-22-14-16-7-5-11-24(15-16)21(26)19-13-18(20-10-6-12-27-20)23-25(19)17-8-3-2-4-9-17;/h2-4,6,8-10,12-13,16,22H,5,7,11,14-15H2,1H3;1H
InChIKeyYAOLVVNGZPHECS-UHFFFAOYSA-N
XLogP3.63
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487594
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
1,4-diazepan-1-yl-[3-(furan-2-yl)-1-phenylpyrazol-5-yl]methanone;hydrochloride
CID 119414159
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633
[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682960
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55489912
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42159681
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
N-[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41470718
6-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175414
(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
CID 46120011
ethyl 1-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 3371718

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119394838) is [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1.Cl.
What is the InChIKey of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is YAOLVVNGZPHECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.ClH/c1-22-14-16-7-5-11-24(15-16)21(26)19-13-18(20-10-6-12-27-20)23-25(19)17-8-3-2-4-9-17;/h2-4,6,8-10,12-13,16,22H,5,7,11,14-15H2,1H3;1H.
What are the key properties of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119394838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).