5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one

C22H23ClN4O — CID 167933757

IUPAC5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one
SMILESCC1(CNCc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCC(=O)N1
InChIInChI=1S/C22H23ClN4O/c1-22(11-10-20(28)25-22)15-24-13-17-14-27(19-8-3-2-4-9-19)26-21(17)16-6-5-7-18(23)12-16/h2-9,12,14,24H,10-11,13,15H2,1H3,(H,25,28)
InChIKeyZLASQPFWAKMODC-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.95
Rot. Bonds6

About 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one

5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one (PubChem CID 167933757) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one
PubChem CID167933757
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one
SMILESCC1(CNCc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCC(=O)N1
InChIInChI=1S/C22H23ClN4O/c1-22(11-10-20(28)25-22)15-24-13-17-14-27(19-8-3-2-4-9-19)26-21(17)16-6-5-7-18(23)12-16/h2-9,12,14,24H,10-11,13,15H2,1H3,(H,25,28)
InChIKeyZLASQPFWAKMODC-UHFFFAOYSA-N
XLogP3.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9209741
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methyl-1-phenylpyrazol-4-yl)acetamide
CID 46887145
N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide
CID 46887191
8-[3-Chloro-5-[4-(1-methylpyrazol-3-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407960
N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide
CID 141484730
4-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 5508807
1-[3-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propyl]-2-pyrrolidinone
CID 16191024
N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 24817359
[4-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-[(3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone
CID 70683558
N-[[3-(3-chlorophenyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546288
N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25107453
2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 141484721

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one (CID 167933757) is 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one is CC1(CNCc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCC(=O)N1.
What is the InChIKey of 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one?
The InChIKey is ZLASQPFWAKMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-22(11-10-20(28)25-22)15-24-13-17-14-27(19-8-3-2-4-9-19)26-21(17)16-6-5-7-18(23)12-16/h2-9,12,14,24H,10-11,13,15H2,1H3,(H,25,28).
What are the key properties of 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one?
5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one has a molecular weight of 394.91 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 167933757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).