2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide

C24H28N4O3 — CID 60547492

IUPAC2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCc2cccc(Cn3cccn3)c2)c(OC)c1
InChIInChI=1S/C24H28N4O3/c1-30-20-9-10-21(23(15-20)31-2)22-8-4-13-28(22)24(29)25-16-18-6-3-7-19(14-18)17-27-12-5-11-26-27/h3,5-7,9-12,14-15,22H,4,8,13,16-17H2,1-2H3,(H,25,29)
InChIKeyYLLRQSGFXYUUQE-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.00
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide

2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 60547492) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID60547492
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCc2cccc(Cn3cccn3)c2)c(OC)c1
InChIInChI=1S/C24H28N4O3/c1-30-20-9-10-21(23(15-20)31-2)22-8-4-13-28(22)24(29)25-16-18-6-3-7-19(14-18)17-27-12-5-11-26-27/h3,5-7,9-12,14-15,22H,4,8,13,16-17H2,1-2H3,(H,25,29)
InChIKeyYLLRQSGFXYUUQE-UHFFFAOYSA-N
XLogP4.00
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60586832
2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 47862645
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 87052104
2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide
CID 60614114
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129393336
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 60547492) is 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)NCc2cccc(Cn3cccn3)c2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is YLLRQSGFXYUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-20-9-10-21(23(15-20)31-2)22-8-4-13-28(22)24(29)25-16-18-6-3-7-19(14-18)17-27-12-5-11-26-27/h3,5-7,9-12,14-15,22H,4,8,13,16-17H2,1-2H3,(H,25,29).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60547492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).