[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C20H22Cl2N4O2 — CID 119540653

IUPAC[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1.Cl
InChIInChI=1S/C20H21ClN4O2.ClH/c1-22-12-14-7-8-24(13-14)20(26)17-11-18(19-6-3-9-27-19)25(23-17)16-5-2-4-15(21)10-16;/h2-6,9-11,14,22H,7-8,12-13H2,1H3;1H
InChIKeyGSXWWQQWSGJOFA-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.89
Rot. Bonds5

About [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119540653) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119540653
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1.Cl
InChIInChI=1S/C20H21ClN4O2.ClH/c1-22-12-14-7-8-24(13-14)20(26)17-11-18(19-6-3-9-27-19)25(23-17)16-5-2-4-15(21)10-16;/h2-6,9-11,14,22H,7-8,12-13H2,1H3;1H
InChIKeyGSXWWQQWSGJOFA-UHFFFAOYSA-N
XLogP3.89
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 86877598
1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99177758
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone
CID 120807615
(4-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone;hydrochloride
CID 119376116
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38602656
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119462462
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539873
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119394838
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55710038
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540304

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119540653) is [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1.Cl.
What is the InChIKey of [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is GSXWWQQWSGJOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2.ClH/c1-22-12-14-7-8-24(13-14)20(26)17-11-18(19-6-3-9-27-19)25(23-17)16-5-2-4-15(21)10-16;/h2-6,9-11,14,22H,7-8,12-13H2,1H3;1H.
What are the key properties of [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 421.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119540653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).