N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

C15H23IN6S — CID 119143691

IUPACN'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nc(C)cs1)N1CCC(c2cnn(C)c2)C1.I
InChIInChI=1S/C15H22N6S.HI/c1-11-10-22-14(19-11)7-17-15(16-2)21-5-4-12(9-21)13-6-18-20(3)8-13;/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,16,17);1H
InChIKeyKBAPWCWHMAGXRR-UHFFFAOYSA-N
MW446.36 g/mol
LogP2.37
Rot. Bonds3

About N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119143691) has the molecular formula C15H23IN6S and a molecular weight of 446.36 g/mol. Its IUPAC name is N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119143691
Molecular FormulaC15H23IN6S
Molecular Weight446.36 g/mol
Exact Mass446.07
IUPAC NameN'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nc(C)cs1)N1CCC(c2cnn(C)c2)C1.I
InChIInChI=1S/C15H22N6S.HI/c1-11-10-22-14(19-11)7-17-15(16-2)21-5-4-12(9-21)13-6-18-20(3)8-13;/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,16,17);1H
InChIKeyKBAPWCWHMAGXRR-UHFFFAOYSA-N
XLogP2.37
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-bromothiophen-2-yl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740971
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792
N-cyclopropyl-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740907
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143831
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143749
N-[3-(dimethylamino)propyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743032
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723198
N'-methyl-3-(1-methylpyrazol-4-yl)-N-nonylpyrrolidine-1-carboximidamide;hydroiodide
CID 111742988
N-hexyl-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740555
N-[2-(ethylsulfonylamino)ethyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111742630
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742721
N-(2-cyclopentylethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119143744

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 119143691) is N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1nc(C)cs1)N1CCC(c2cnn(C)c2)C1.I.
What is the InChIKey of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is KBAPWCWHMAGXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S.HI/c1-11-10-22-14(19-11)7-17-15(16-2)21-5-4-12(9-21)13-6-18-20(3)8-13;/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,16,17);1H.
What are the key properties of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 446.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119143691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).