1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one

C23H23ClN4O2 — CID 9452071

IUPAC1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one
SMILESCN(CC(=O)N1CCCC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN4O2/c1-26(16-22(30)27-13-5-8-21(27)29)14-18-15-28(20-6-3-2-4-7-20)25-23(18)17-9-11-19(24)12-10-17/h2-4,6-7,9-12,15H,5,8,13-14,16H2,1H3
InChIKeyRQEYKLLSNZWVBV-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.77
Rot. Bonds6

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

1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one (PubChem CID 9452071) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one
PubChem CID9452071
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one
SMILESCN(CC(=O)N1CCCC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN4O2/c1-26(16-22(30)27-13-5-8-21(27)29)14-18-15-28(20-6-3-2-4-7-20)25-23(18)17-9-11-19(24)12-10-17/h2-4,6-7,9-12,15H,5,8,13-14,16H2,1H3
InChIKeyRQEYKLLSNZWVBV-UHFFFAOYSA-N
XLogP3.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbut-2-enamide
CID 39736625
2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55504042
2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41083283
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
2-(4-acetamidophenyl)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylacetamide
CID 17439972
4-acetamido-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbenzamide
CID 39736620
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
CID 67048003
CID 67048003
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-(2-methylpropyl)urea
CID 122160112
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-prop-2-ynylurea
CID 122132230
(E)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-3-pyridin-4-ylprop-2-enamide
CID 39443747
N-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-2-oxoethyl]benzamide
CID 24547321

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one (CID 9452071) is 1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one is CN(CC(=O)N1CCCC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one?
The InChIKey is RQEYKLLSNZWVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-26(16-22(30)27-13-5-8-21(27)29)14-18-15-28(20-6-3-2-4-7-20)25-23(18)17-9-11-19(24)12-10-17/h2-4,6-7,9-12,15H,5,8,13-14,16H2,1H3.
What are the key properties of 1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one?
1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one has a molecular weight of 422.92 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 9452071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).