N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

C15H25N5 — CID 119143804

IUPACN-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1(C)C)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C15H25N5/c1-15(2)7-13(15)18-14(16-3)20-6-5-11(10-20)12-8-17-19(4)9-12/h8-9,11,13H,5-7,10H2,1-4H3,(H,16,18)
InChIKeyXEVOWLGQFMJOLW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.58
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (PubChem CID 119143804) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
PubChem CID119143804
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1(C)C)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C15H25N5/c1-15(2)7-13(15)18-14(16-3)20-6-5-11(10-20)12-8-17-19(4)9-12/h8-9,11,13H,5-7,10H2,1-4H3,(H,16,18)
InChIKeyXEVOWLGQFMJOLW-UHFFFAOYSA-N
XLogP1.58
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.58
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-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 119142523
N-(2-cyclopentylethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119143744
N'-methyl-3-(1-methylpyrazol-4-yl)-N-pentylpyrrolidine-1-carboximidamide
CID 111743381
N-(2-methoxyethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742275
N-cyclopropyl-2-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]acetamide
CID 119143872
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119157651
N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119143930
N-[3-(dimethylamino)propyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743032
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclopentyl)methyl]pyrrolidine-1-carboximidamide
CID 111742967
N'-methyl-3-(1-methylpyrazol-4-yl)-N-nonylpyrrolidine-1-carboximidamide;hydroiodide
CID 111742988

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (CID 119143804) is N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is C/N=C(/NC1CC1(C)C)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The InChIKey is XEVOWLGQFMJOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-15(2)7-13(15)18-14(16-3)20-6-5-11(10-20)12-8-17-19(4)9-12/h8-9,11,13H,5-7,10H2,1-4H3,(H,16,18).
What are the key properties of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119143804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).