1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide

C19H26IN5 — CID 119119707

IUPAC1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nn(-c2ccccc2)c2c1CCC2)NCC1CCC1
InChIInChI=1S/C19H25N5.HI/c20-19(21-12-14-6-4-7-14)22-13-17-16-10-5-11-18(16)24(23-17)15-8-2-1-3-9-15;/h1-3,8-9,14H,4-7,10-13H2,(H3,20,21,22);1H
InChIKeyIXYJSQFELWXLPD-UHFFFAOYSA-N
MW451.36 g/mol
LogP3.18
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide

1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide (PubChem CID 119119707) has the molecular formula C19H26IN5 and a molecular weight of 451.36 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
PubChem CID119119707
Molecular FormulaC19H26IN5
Molecular Weight451.36 g/mol
Exact Mass451.12
IUPAC Name1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nn(-c2ccccc2)c2c1CCC2)NCC1CCC1
InChIInChI=1S/C19H25N5.HI/c20-19(21-12-14-6-4-7-14)22-13-17-16-10-5-11-18(16)24(23-17)15-8-2-1-3-9-15;/h1-3,8-9,14H,4-7,10-13H2,(H3,20,21,22);1H
InChIKeyIXYJSQFELWXLPD-UHFFFAOYSA-N
XLogP3.18
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide (CID 119119707) is 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide is I.N/C(=N\Cc1nn(-c2ccccc2)c2c1CCC2)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is IXYJSQFELWXLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5.HI/c20-19(21-12-14-6-4-7-14)22-13-17-16-10-5-11-18(16)24(23-17)15-8-2-1-3-9-15;/h1-3,8-9,14H,4-7,10-13H2,(H3,20,21,22);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 451.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119119707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).