N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide

C16H29N5O — CID 119154058

IUPACN-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)N1CCC(COC)C1
InChIInChI=1S/C16H29N5O/c1-6-17-16(21-8-7-14(10-21)11-22-5)18-9-15-12(2)19-20(4)13(15)3/h14H,6-11H2,1-5H3,(H,17,18)
InChIKeyUFPCWIMAPXZUIN-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.47
Rot. Bonds5

About N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide

N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 119154058) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
PubChem CID119154058
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)N1CCC(COC)C1
InChIInChI=1S/C16H29N5O/c1-6-17-16(21-8-7-14(10-21)11-22-5)18-9-15-12(2)19-20(4)13(15)3/h14H,6-11H2,1-5H3,(H,17,18)
InChIKeyUFPCWIMAPXZUIN-UHFFFAOYSA-N
XLogP1.47
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111547026
1-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952681
N'-[(4-bromophenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111978372
N-ethyl-3-(methoxymethyl)-N'-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrolidine-1-carboximidamide
CID 111736471
4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119154329
N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide
CID 111210419
N'-[[4-(ethoxymethyl)phenyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736206
N'-[(3-chlorophenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111736881
N-ethyl-3-(methoxymethyl)-N'-prop-2-ynylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143443
N-ethyl-3-(methoxymethyl)-N'-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111735244
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735228

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide (CID 119154058) is N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1c(C)nn(C)c1C)N1CCC(COC)C1.
What is the InChIKey of N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is UFPCWIMAPXZUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-6-17-16(21-8-7-14(10-21)11-22-5)18-9-15-12(2)19-20(4)13(15)3/h14H,6-11H2,1-5H3,(H,17,18).
What are the key properties of N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 307.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119154058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).