2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide

C17H24IN5 — CID 120913603

IUPAC2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccn(Cc2ccccc2)n1)NC1CCCC1
InChIInChI=1S/C17H23N5.HI/c18-17(20-15-8-4-5-9-15)19-12-16-10-11-22(21-16)13-14-6-2-1-3-7-14;/h1-3,6-7,10-11,15H,4-5,8-9,12-13H2,(H3,18,19,20);1H
InChIKeyODLYDDBWJINSEF-UHFFFAOYSA-N
MW425.32 g/mol
LogP2.90
Rot. Bonds5

About 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide

2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide (PubChem CID 120913603) has the molecular formula C17H24IN5 and a molecular weight of 425.32 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide
PubChem CID120913603
Molecular FormulaC17H24IN5
Molecular Weight425.32 g/mol
Exact Mass425.11
IUPAC Name2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccn(Cc2ccccc2)n1)NC1CCCC1
InChIInChI=1S/C17H23N5.HI/c18-17(20-15-8-4-5-9-15)19-12-16-10-11-22(21-16)13-14-6-2-1-3-7-14;/h1-3,6-7,10-11,15H,4-5,8-9,12-13H2,(H3,18,19,20);1H
InChIKeyODLYDDBWJINSEF-UHFFFAOYSA-N
XLogP2.90
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
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

1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 119119668
1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
CID 119117109
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
CID 122098796
1-cycloheptyl-2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110028847
1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 75512611
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307
1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
CID 119119713
1-cyclohexyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047313
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide?
The IUPAC name of 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide (CID 120913603) is 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide?
The canonical SMILES for 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide is I.N/C(=N\Cc1ccn(Cc2ccccc2)n1)NC1CCCC1.
What is the InChIKey of 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide?
The InChIKey is ODLYDDBWJINSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5.HI/c18-17(20-15-8-4-5-9-15)19-12-16-10-11-22(21-16)13-14-6-2-1-3-7-14;/h1-3,6-7,10-11,15H,4-5,8-9,12-13H2,(H3,18,19,20);1H.
What are the key properties of 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide?
2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide has a molecular weight of 425.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide is sourced from PubChem (CID 120913603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).