N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide

C11H19N5 — CID 110934489

IUPACN'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCn1cccn1)N1CCCC1
InChIInChI=1S/C11H19N5/c1-12-11(15-7-2-3-8-15)13-6-10-16-9-4-5-14-16/h4-5,9H,2-3,6-8,10H2,1H3,(H,12,13)
InChIKeyOZSYNBZTYLSTBU-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.55
Rot. Bonds3

About N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide

N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide (PubChem CID 110934489) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
PubChem CID110934489
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCn1cccn1)N1CCCC1
InChIInChI=1S/C11H19N5/c1-12-11(15-7-2-3-8-15)13-6-10-16-9-4-5-14-16/h4-5,9H,2-3,6-8,10H2,1H3,(H,12,13)
InChIKeyOZSYNBZTYLSTBU-UHFFFAOYSA-N
XLogP0.55
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.55
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'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110934488
4-(2-hydroxyphenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111185396
N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 110962115
N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
CID 111143810
N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 119114636
2-ethyl-N'-methyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide
CID 109485606
N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109488372
N'-methyl-N-(2-pyrazol-1-ylethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119145070
4-(3-chlorophenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111186629
N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111734751
N'-methyl-N-(2-pyrazol-1-ylethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide
CID 109413595
N'-methyl-N-(3-pyrazol-1-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206750

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide (CID 110934489) is N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide is C/N=C(\NCCn1cccn1)N1CCCC1.
What is the InChIKey of N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide?
The InChIKey is OZSYNBZTYLSTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-12-11(15-7-2-3-8-15)13-6-10-16-9-4-5-14-16/h4-5,9H,2-3,6-8,10H2,1H3,(H,12,13).
What are the key properties of N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide?
N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide has a molecular weight of 221.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110934489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).