N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

C18H26IN5 — CID 111738797

IUPACN',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccn(-c2ccccc2)n1)N1CCC(C)(C)C1.I
InChIInChI=1S/C18H25N5.HI/c1-18(2)10-12-22(14-18)17(19-3)20-13-15-9-11-23(21-15)16-7-5-4-6-8-16;/h4-9,11H,10,12-14H2,1-3H3,(H,19,20);1H
InChIKeyBWYAOVFHOUGITQ-UHFFFAOYSA-N
MW439.35 g/mol
LogP3.30
Rot. Bonds3

About N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111738797) has the molecular formula C18H26IN5 and a molecular weight of 439.35 g/mol. Its IUPAC name is N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111738797
Molecular FormulaC18H26IN5
Molecular Weight439.35 g/mol
Exact Mass439.12
IUPAC NameN',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccn(-c2ccccc2)n1)N1CCC(C)(C)C1.I
InChIInChI=1S/C18H25N5.HI/c1-18(2)10-12-22(14-18)17(19-3)20-13-15-9-11-23(21-15)16-7-5-4-6-8-16;/h4-9,11H,10,12-14H2,1-3H3,(H,19,20);1H
InChIKeyBWYAOVFHOUGITQ-UHFFFAOYSA-N
XLogP3.30
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 53.30
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738045
4-(3-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111290543
ethyl 1-[N'-methyl-N-[(1-phenylpyrazol-3-yl)methyl]carbamimidoyl]piperidine-3-carboxylate
CID 110993777
N-benzyl-2-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111739057
N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111738016
N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111739032
1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 110934345
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(1-phenylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447408
N,N-dimethyl-2-[[N'-methyl-N-[(1-phenylpyrazol-3-yl)methyl]carbamimidoyl]amino]acetamide
CID 119133044
1-cyclopentyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 110990848
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738769

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111738797) is N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccn(-c2ccccc2)n1)N1CCC(C)(C)C1.I.
What is the InChIKey of N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is BWYAOVFHOUGITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5.HI/c1-18(2)10-12-22(14-18)17(19-3)20-13-15-9-11-23(21-15)16-7-5-4-6-8-16;/h4-9,11H,10,12-14H2,1-3H3,(H,19,20);1H.
What are the key properties of N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 439.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111738797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).