N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide

C18H27N5O — CID 110056132

IUPACN-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C18H27N5O/c1-3-8-19-18(20-9-6-17-5-4-11-24-17)23-10-7-15(14-23)16-12-21-22(2)13-16/h4-5,11-13,15H,3,6-10,14H2,1-2H3,(H,19,20)
InChIKeyYKKHYXJQDJRDTI-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide (PubChem CID 110056132) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide
PubChem CID110056132
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C18H27N5O/c1-3-8-19-18(20-9-6-17-5-4-11-24-17)23-10-7-15(14-23)16-12-21-22(2)13-16/h4-5,11-13,15H,3,6-10,14H2,1-2H3,(H,19,20)
InChIKeyYKKHYXJQDJRDTI-UHFFFAOYSA-N
XLogP2.40
TPSA58.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.40
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'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056147
N'-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056139
2-[[ethylamino-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111740686
ethyl 4-[[N-[2-(furan-2-yl)ethyl]-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110056141
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide
CID 110058005
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111743131
N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743206
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 110056319
N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide
CID 110061686
N'-butyl-N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110061505
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565
N'-methyl-3-(1-methylpyrazol-4-yl)-N-pentylpyrrolidine-1-carboximidamide
CID 111743381

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide (CID 110056132) is N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide is CCC/N=C(\NCCc1ccco1)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide?
The InChIKey is YKKHYXJQDJRDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-8-19-18(20-9-6-17-5-4-11-24-17)23-10-7-15(14-23)16-12-21-22(2)13-16/h4-5,11-13,15H,3,6-10,14H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide has a molecular weight of 329.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110056132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).