3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide

C26H29ClN4O2 — CID 45190049

IUPAC3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide
SMILESCc1ccccc1-n1cc(CN(C)C(=O)CCC2(Cc3ccc(Cl)cc3)CCC(=O)N2)cn1
InChIInChI=1S/C26H29ClN4O2/c1-19-5-3-4-6-23(19)31-18-21(16-28-31)17-30(2)25(33)12-14-26(13-11-24(32)29-26)15-20-7-9-22(27)10-8-20/h3-10,16,18H,11-15,17H2,1-2H3,(H,29,32)
InChIKeyJXPPTOKUBBUVGK-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.46
Rot. Bonds8

About 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide

3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide (PubChem CID 45190049) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide
PubChem CID45190049
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide
SMILESCc1ccccc1-n1cc(CN(C)C(=O)CCC2(Cc3ccc(Cl)cc3)CCC(=O)N2)cn1
InChIInChI=1S/C26H29ClN4O2/c1-19-5-3-4-6-23(19)31-18-21(16-28-31)17-30(2)25(33)12-14-26(13-11-24(32)29-26)15-20-7-9-22(27)10-8-20/h3-10,16,18H,11-15,17H2,1-2H3,(H,29,32)
InChIKeyJXPPTOKUBBUVGK-UHFFFAOYSA-N
XLogP4.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[4-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 54769529
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
3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239053
4-[[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoic acid
CID 2121583
4-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 5508807
N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 24817359
(4-(2-((1H-pyrazol-1-yl)methyl)phenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)methanone
CID 44444438
[4-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-[(3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone
CID 70683558
[(1R)-2-(4-chlorophenyl)-1-[(1-phenylpyrazole-4-carbonyl)amino]ethyl]boronic acid
CID 155541669
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide
CID 58156979
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide
CID 58157069

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide?
The IUPAC name of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide (CID 45190049) is 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide is Cc1ccccc1-n1cc(CN(C)C(=O)CCC2(Cc3ccc(Cl)cc3)CCC(=O)N2)cn1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide?
The InChIKey is JXPPTOKUBBUVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-19-5-3-4-6-23(19)31-18-21(16-28-31)17-30(2)25(33)12-14-26(13-11-24(32)29-26)15-20-7-9-22(27)10-8-20/h3-10,16,18H,11-15,17H2,1-2H3,(H,29,32).
What are the key properties of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide?
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide has a molecular weight of 465.00 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 45190049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).