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

C20H23ClN4O2 — CID 119487594

IUPAC[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-21-15-7-5-11-23(14-15)20(25)18-13-17(19-10-6-12-26-19)22-24(18)16-8-3-2-4-9-16;/h2-4,6,8-10,12-13,15,21H,5,7,11,14H2,1H3;1H
InChIKeyQFFLSQOKXMEYHH-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.38
Rot. Bonds4

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

[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119487594) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119487594
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-21-15-7-5-11-23(14-15)20(25)18-13-17(19-10-6-12-26-19)22-24(18)16-8-3-2-4-9-16;/h2-4,6,8-10,12-13,15,21H,5,7,11,14H2,1H3;1H
InChIKeyQFFLSQOKXMEYHH-UHFFFAOYSA-N
XLogP3.38
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119394838
1,4-diazepan-1-yl-[3-(furan-2-yl)-1-phenylpyrazol-5-yl]methanone;hydrochloride
CID 119414159
N-[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41470718
[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
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
6-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175414
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
(3R)-3-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]azepan-2-one
CID 95778163
N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119474454

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119487594) is [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1.Cl.
What is the InChIKey of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is QFFLSQOKXMEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-21-15-7-5-11-23(14-15)20(25)18-13-17(19-10-6-12-26-19)22-24(18)16-8-3-2-4-9-16;/h2-4,6,8-10,12-13,15,21H,5,7,11,14H2,1H3;1H.
What are the key properties of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.38, 4 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-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119487594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).