[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone

C22H23ClN4O — CID 166216627

IUPAC[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
SMILESCN(Cc1ccccc1)C1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H23ClN4O/c1-26(14-16-5-3-2-4-6-16)19-11-12-27(15-19)22(28)20-13-24-25-21(20)17-7-9-18(23)10-8-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,24,25)
InChIKeyBYIZXHHDAXDYPA-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.08
Rot. Bonds5

About [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone

[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 166216627) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID166216627
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
SMILESCN(Cc1ccccc1)C1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H23ClN4O/c1-26(14-16-5-3-2-4-6-16)19-11-12-27(15-19)22(28)20-13-24-25-21(20)17-7-9-18(23)10-8-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,24,25)
InChIKeyBYIZXHHDAXDYPA-UHFFFAOYSA-N
XLogP4.08
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone with MolForge

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 17424319
(4-benzhydrylpiperazin-1-yl)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 71824930
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide
CID 166187748
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 55497025
(4-benzylpiperidin-1-yl)-[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone
CID 71824820
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
[3-(methylaminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119395429
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749

Frequently Asked Questions

What is the IUPAC name of [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone (CID 166216627) is [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone is CN(Cc1ccccc1)C1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is BYIZXHHDAXDYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-26(14-16-5-3-2-4-6-16)19-11-12-27(15-19)22(28)20-13-24-25-21(20)17-7-9-18(23)10-8-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,24,25).
What are the key properties of [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone?
[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 394.91 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 166216627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).