1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine

C12H21N5 — CID 103677225

IUPAC1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
SMILESCc1cnn(CC/N=C(\N)NC2CCCC2)c1
InChIInChI=1S/C12H21N5/c1-10-8-15-17(9-10)7-6-14-12(13)16-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H3,13,14,16)
InChIKeyDZNOZSJZPKGYSM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.04
Rot. Bonds4

About 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine

1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine (PubChem CID 103677225) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
PubChem CID103677225
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
SMILESCc1cnn(CC/N=C(\N)NC2CCCC2)c1
InChIInChI=1S/C12H21N5/c1-10-8-15-17(9-10)7-6-14-12(13)16-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H3,13,14,16)
InChIKeyDZNOZSJZPKGYSM-UHFFFAOYSA-N
XLogP1.04
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.04
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'}

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Related Compounds

2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 120973646
1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 110957918
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111979160
3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 111806202
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
2-(3-methylbutyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111806225
1-cyclopropyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 62361824
1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 62367881
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
CID 119119816
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111806210

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine (CID 103677225) is 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine is Cc1cnn(CC/N=C(\N)NC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?
The InChIKey is DZNOZSJZPKGYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-10-8-15-17(9-10)7-6-14-12(13)16-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H3,13,14,16).
What are the key properties of 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?
1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine has a molecular weight of 235.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 103677225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).