N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide

C18H25N5 — CID 111738045

IUPACN',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(-n2cccn2)cc1)N1CCC(C)(C)C1
InChIInChI=1S/C18H25N5/c1-18(2)9-12-22(14-18)17(19-3)20-13-15-5-7-16(8-6-15)23-11-4-10-21-23/h4-8,10-11H,9,12-14H2,1-3H3,(H,19,20)
InChIKeyLOUGKDKFGCGVEW-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.68
Rot. Bonds3

About N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide

N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 111738045) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide
PubChem CID111738045
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(-n2cccn2)cc1)N1CCC(C)(C)C1
InChIInChI=1S/C18H25N5/c1-18(2)9-12-22(14-18)17(19-3)20-13-15-5-7-16(8-6-15)23-11-4-10-21-23/h4-8,10-11H,9,12-14H2,1-3H3,(H,19,20)
InChIKeyLOUGKDKFGCGVEW-UHFFFAOYSA-N
XLogP2.68
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.68
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-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
ethyl 4-[N'-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111162764
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738770
N',3,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739118
N'-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442076
N',3,3-trimethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111739401
N',3,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738483
N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738797
N-[(4-cyanophenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740325
4-(2-methoxyphenyl)-N'-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111132665
3-(2-methoxyethoxymethyl)-N'-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745488
N-[(6-chloro-3-pyridinyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738276

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide (CID 111738045) is N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide is C/N=C(\NCc1ccc(-n2cccn2)cc1)N1CCC(C)(C)C1.
What is the InChIKey of N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is LOUGKDKFGCGVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-18(2)9-12-22(14-18)17(19-3)20-13-15-5-7-16(8-6-15)23-11-4-10-21-23/h4-8,10-11H,9,12-14H2,1-3H3,(H,19,20).
What are the key properties of N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide?
N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 311.43 g/mol, XLogP of 2.68, 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-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111738045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).