1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine

C13H23N5 — CID 119151385

IUPAC1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cn[nH]c1C)NCC1CCC1
InChIInChI=1S/C13H23N5/c1-3-14-13(15-7-11-5-4-6-11)16-8-12-9-17-18-10(12)2/h9,11H,3-8H2,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyIKFOOELSXVRHSS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.57
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine

1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine (PubChem CID 119151385) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
PubChem CID119151385
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cn[nH]c1C)NCC1CCC1
InChIInChI=1S/C13H23N5/c1-3-14-13(15-7-11-5-4-6-11)16-8-12-9-17-18-10(12)2/h9,11H,3-8H2,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyIKFOOELSXVRHSS-UHFFFAOYSA-N
XLogP1.57
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119149095
1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111609042
1-(cyclopropylmethyl)-3-ethyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359910
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
1-cyclopentyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 62369717
1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide
CID 119151128
N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide
CID 63178022
1-(cyclopropylmethyl)-3-ethyl-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111368242
1-(cyclopropylmethyl)-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine
CID 111867474
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(3-methylcyclohexyl)methyl]guanidine
CID 111595037
2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111042629
1-(cyclopropylmethyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111870756

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine (CID 119151385) is 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine is CCN/C(=N\Cc1cn[nH]c1C)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine?
The InChIKey is IKFOOELSXVRHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-14-13(15-7-11-5-4-6-11)16-8-12-9-17-18-10(12)2/h9,11H,3-8H2,1-2H3,(H,17,18)(H2,14,15,16).
What are the key properties of 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine?
1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 119151385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).