3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C20H28N4O3 — CID 122561054

IUPAC3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCC(c3cc(OC)ccc3OC)C2)c(C)n1
InChIInChI=1S/C20H28N4O3/c1-5-24-13-16(14(2)22-24)11-21-20(25)23-9-8-15(12-23)18-10-17(26-3)6-7-19(18)27-4/h6-7,10,13,15H,5,8-9,11-12H2,1-4H3,(H,21,25)
InChIKeyXILSNEVQVIYSHP-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.93
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 122561054) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID122561054
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCC(c3cc(OC)ccc3OC)C2)c(C)n1
InChIInChI=1S/C20H28N4O3/c1-5-24-13-16(14(2)22-24)11-21-20(25)23-9-8-15(12-23)18-10-17(26-3)6-7-19(18)27-4/h6-7,10,13,15H,5,8-9,11-12H2,1-4H3,(H,21,25)
InChIKeyXILSNEVQVIYSHP-UHFFFAOYSA-N
XLogP2.93
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(2,5-dimethoxyphenyl)-N-[2-(1-methylpyrrol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 125438587
1-(2,4-dimethoxyphenyl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19324954
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19288632
1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70783790
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70750807
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70740438
1-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 97144470
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 70783397
(1-cyclohexyltriazol-4-yl)-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25311591
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70716299

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 122561054) is 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is CCn1cc(CNC(=O)N2CCC(c3cc(OC)ccc3OC)C2)c(C)n1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is XILSNEVQVIYSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-5-24-13-16(14(2)22-24)11-21-20(25)23-9-8-15(12-23)18-10-17(26-3)6-7-19(18)27-4/h6-7,10,13,15H,5,8-9,11-12H2,1-4H3,(H,21,25).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 122561054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).