N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

C14H23N5 — CID 111740766

IUPACN-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C14H23N5/c1-3-15-14(17-13-4-5-13)19-7-6-11(10-19)12-8-16-18(2)9-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyJKCSSNZBVBCEJH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.34
Rot. Bonds3

About N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (PubChem CID 111740766) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
PubChem CID111740766
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C14H23N5/c1-3-15-14(17-13-4-5-13)19-7-6-11(10-19)12-8-16-18(2)9-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyJKCSSNZBVBCEJH-UHFFFAOYSA-N
XLogP1.34
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopropyl-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740907
N-cyclopropyl-2-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]acetamide
CID 119143872
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 111740902
N-ethyl-N'-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742443
N'-methyl-3-(1-methylpyrazol-4-yl)-N-pentylpyrrolidine-1-carboximidamide
CID 111743381
N-ethyl-N'-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741158
N-ethyl-N'-(2-hydroxy-2-methylbutyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119156325
N-hexyl-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740555
N'-methyl-3-(1-methylpyrazol-4-yl)-N-nonylpyrrolidine-1-carboximidamide;hydroiodide
CID 111742988
N-ethyl-N'-[(4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740859
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111743131
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (CID 111740766) is N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is CC/N=C(/NC1CC1)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The InChIKey is JKCSSNZBVBCEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-15-14(17-13-4-5-13)19-7-6-11(10-19)12-8-16-18(2)9-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111740766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).