N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide

C16H25N3O3 — CID 134128095

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide
SMILESCCC1NNC(C(=O)NCc2ccc(OC)cc2OC)C1C
InChIInChI=1S/C16H25N3O3/c1-5-13-10(2)15(19-18-13)16(20)17-9-11-6-7-12(21-3)8-14(11)22-4/h6-8,10,13,15,18-19H,5,9H2,1-4H3,(H,17,20)
InChIKeyKCLCVXHOQUOKNW-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.21
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide (PubChem CID 134128095) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide
PubChem CID134128095
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide
SMILESCCC1NNC(C(=O)NCc2ccc(OC)cc2OC)C1C
InChIInChI=1S/C16H25N3O3/c1-5-13-10(2)15(19-18-13)16(20)17-9-11-6-7-12(21-3)8-14(11)22-4/h6-8,10,13,15,18-19H,5,9H2,1-4H3,(H,17,20)
InChIKeyKCLCVXHOQUOKNW-UHFFFAOYSA-N
XLogP1.21
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide
CID 63363227
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide
CID 82916253
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
(2R)-2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide
CID 92864173

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide (CID 134128095) is N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide is CCC1NNC(C(=O)NCc2ccc(OC)cc2OC)C1C.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide?
The InChIKey is KCLCVXHOQUOKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-13-10(2)15(19-18-13)16(20)17-9-11-6-7-12(21-3)8-14(11)22-4/h6-8,10,13,15,18-19H,5,9H2,1-4H3,(H,17,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134128095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).