N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

C12H22IN5 — CID 111738709

IUPACN',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccn[nH]1)N1CCC(C)(C)C1.I
InChIInChI=1S/C12H21N5.HI/c1-12(2)5-7-17(9-12)11(13-3)14-8-10-4-6-15-16-10;/h4,6H,5,7-9H2,1-3H3,(H,13,14)(H,15,16);1H
InChIKeyFZZPFFAUDTUBQX-UHFFFAOYSA-N
MW363.25 g/mol
LogP1.84
Rot. Bonds2

About N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111738709) has the molecular formula C12H22IN5 and a molecular weight of 363.25 g/mol. Its IUPAC name is N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111738709
Molecular FormulaC12H22IN5
Molecular Weight363.25 g/mol
Exact Mass363.09
IUPAC NameN',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccn[nH]1)N1CCC(C)(C)C1.I
InChIInChI=1S/C12H21N5.HI/c1-12(2)5-7-17(9-12)11(13-3)14-8-10-4-6-15-16-10;/h4,6H,5,7-9H2,1-3H3,(H,13,14)(H,15,16);1H
InChIKeyFZZPFFAUDTUBQX-UHFFFAOYSA-N
XLogP1.84
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3,3-dimethyl-N'-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740109
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738769
N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
4-(4-fluorophenyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 111165836
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738770
N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738045
N',3,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738483
N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111738016
N-[(4-cyanophenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740325
4-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111739633
N-[(6-chloro-3-pyridinyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738276
N-benzyl-2-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111739057

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111738709) is N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccn[nH]1)N1CCC(C)(C)C1.I.
What is the InChIKey of N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is FZZPFFAUDTUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.HI/c1-12(2)5-7-17(9-12)11(13-3)14-8-10-4-6-15-16-10;/h4,6H,5,7-9H2,1-3H3,(H,13,14)(H,15,16);1H.
What are the key properties of N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 363.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111738709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).