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

C19H26IN5 — CID 119119713

IUPAC1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nn(-c2ccccc2)c2c1CCC2)NC1CCCC1
InChIInChI=1S/C19H25N5.HI/c20-19(22-14-7-4-5-8-14)21-13-17-16-11-6-12-18(16)24(23-17)15-9-2-1-3-10-15;/h1-3,9-10,14H,4-8,11-13H2,(H3,20,21,22);1H
InChIKeyUJLMCVWCBLPNIJ-UHFFFAOYSA-N
MW451.36 g/mol
LogP3.33
Rot. Bonds4

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

1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide (PubChem CID 119119713) has the molecular formula C19H26IN5 and a molecular weight of 451.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
PubChem CID119119713
Molecular FormulaC19H26IN5
Molecular Weight451.36 g/mol
Exact Mass451.12
IUPAC Name1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nn(-c2ccccc2)c2c1CCC2)NC1CCCC1
InChIInChI=1S/C19H25N5.HI/c20-19(22-14-7-4-5-8-14)21-13-17-16-11-6-12-18(16)24(23-17)15-9-2-1-3-10-15;/h1-3,9-10,14H,4-8,11-13H2,(H3,20,21,22);1H
InChIKeyUJLMCVWCBLPNIJ-UHFFFAOYSA-N
XLogP3.33
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 53.33
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-Phenyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl)methanamine
CID 45791645
N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl)cyclopentanamine
CID 43406622
1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]urea
CID 47306902
1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
CID 71890441
3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
CID 75404902
{1-phenyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}methanamine hydrochloride
CID 45791644
N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 75534572
1-Cyclopentyl-1-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)-3-phenylurea
CID 86266597
4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole
CID 20312839
3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3973447
3-cyclopentyl-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4410612
3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4694810

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide (CID 119119713) is 1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide is I.N/C(=N\Cc1nn(-c2ccccc2)c2c1CCC2)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is UJLMCVWCBLPNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5.HI/c20-19(22-14-7-4-5-8-14)21-13-17-16-11-6-12-18(16)24(23-17)15-9-2-1-3-10-15;/h1-3,9-10,14H,4-8,11-13H2,(H3,20,21,22);1H.
What are the key properties of 1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide?
1-cyclopentyl-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 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119119713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).