1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine

C13H23N5 — CID 110989999

IUPAC1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cnn(C)c1)NC1CCCC1
InChIInChI=1S/C13H23N5/c1-3-14-13(17-12-6-4-5-7-12)15-8-11-9-16-18(2)10-11/h9-10,12H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyWUJHEWCRPKWQFE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.42
Rot. Bonds4

About 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine

1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine (PubChem CID 110989999) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
PubChem CID110989999
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cnn(C)c1)NC1CCCC1
InChIInChI=1S/C13H23N5/c1-3-14-13(17-12-6-4-5-7-12)15-8-11-9-16-18(2)10-11/h9-10,12H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyWUJHEWCRPKWQFE-UHFFFAOYSA-N
XLogP1.42
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.42
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-[(1-benzylpyrazol-4-yl)methyl]-1-cyclohexyl-3-ethylguanidine
CID 110958515
1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110988940
1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 116514484
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-ylguanidine
CID 111125027
1-cyclopropyl-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110989071
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine
CID 111228005
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111576333
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111917942
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111262543
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 75512627
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-pentylguanidine
CID 111129039
1-butan-2-yl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 110943400

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine (CID 110989999) is 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine is CCN/C(=N\Cc1cnn(C)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
The InChIKey is WUJHEWCRPKWQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-14-13(17-12-6-4-5-7-12)15-8-11-9-16-18(2)10-11/h9-10,12H,3-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 110989999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).