1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide

C24H25N5O4 — CID 55954540

IUPAC1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CC1=O
InChIInChI=1S/C24H25N5O4/c1-33-21-9-3-2-8-20(21)29-15-18(13-23(29)31)24(32)25-14-17-6-4-7-19(12-17)27-22(30)16-28-11-5-10-26-28/h2-12,18H,13-16H2,1H3,(H,25,32)(H,27,30)
InChIKeyJOHFRPMENNPWLJ-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.20
Rot. Bonds8

About 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide

1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 55954540) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID55954540
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CC1=O
InChIInChI=1S/C24H25N5O4/c1-33-21-9-3-2-8-20(21)29-15-18(13-23(29)31)24(32)25-14-17-6-4-7-19(12-17)27-22(30)16-28-11-5-10-26-28/h2-12,18H,13-16H2,1H3,(H,25,32)(H,27,30)
InChIKeyJOHFRPMENNPWLJ-UHFFFAOYSA-N
XLogP2.20
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 55954925
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
1-(2-methoxyphenyl)-5-oxo-N-(quinolin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 91787400
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51147467
1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55979110
N-[[3-(butanoylamino)phenyl]methyl]-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55782900
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626487
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55850555
2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231220
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134040307
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide (CID 55954540) is 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is JOHFRPMENNPWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-33-21-9-3-2-8-20(21)29-15-18(13-23(29)31)24(32)25-14-17-6-4-7-19(12-17)27-22(30)16-28-11-5-10-26-28/h2-12,18H,13-16H2,1H3,(H,25,32)(H,27,30).
What are the key properties of 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide?
1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55954540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).