N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide

C20H29N5 — CID 111724171

IUPACN-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCc1cn[nH]c1C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H29N5/c1-3-21-20(22-12-7-10-18-14-23-24-16(18)2)25-13-11-19(15-25)17-8-5-4-6-9-17/h4-6,8-9,14,19H,3,7,10-13,15H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZJBRYXMMWUBPHE-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.11
Rot. Bonds6

About N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide

N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 111724171) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
PubChem CID111724171
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCc1cn[nH]c1C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H29N5/c1-3-21-20(22-12-7-10-18-14-23-24-16(18)2)25-13-11-19(15-25)17-8-5-4-6-9-17/h4-6,8-9,14,19H,3,7,10-13,15H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZJBRYXMMWUBPHE-UHFFFAOYSA-N
XLogP3.11
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide
CID 111210091
N-ethyl-N'-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723326
N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 109480992
N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947618
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N-ethyl-4-(2-hydroxyphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboximidamide
CID 111185994
N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide
CID 109486322
ethyl 4-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]butanoate
CID 111723371
N-ethyl-N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723572
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
methyl 5-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]pentanoate;hydroiodide
CID 111723376
N-ethyl-3-phenyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111723550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide (CID 111724171) is N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide is CCN/C(=N\CCCc1cn[nH]c1C)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is ZJBRYXMMWUBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-3-21-20(22-12-7-10-18-14-23-24-16(18)2)25-13-11-19(15-25)17-8-5-4-6-9-17/h4-6,8-9,14,19H,3,7,10-13,15H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide?
N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 339.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111724171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).