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

C11H21N5 — CID 111228005

IUPAC1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N/Cc1cnn(C)c1)NCC
InChIInChI=1S/C11H21N5/c1-4-6-13-11(12-5-2)14-7-10-8-15-16(3)9-10/h8-9H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyVMYMXLPVAUZBOQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.89
Rot. Bonds5

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

1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine (PubChem CID 111228005) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine
PubChem CID111228005
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N/Cc1cnn(C)c1)NCC
InChIInChI=1S/C11H21N5/c1-4-6-13-11(12-5-2)14-7-10-8-15-16(3)9-10/h8-9H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyVMYMXLPVAUZBOQ-UHFFFAOYSA-N
XLogP0.89
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.89
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

1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-pentylguanidine
CID 111129039
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111980192
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111693755
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111197152
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-ylguanidine
CID 111125027
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111169915
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971647
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111392231
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111576333
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111277541
1-butan-2-yl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 110943400
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111131475

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine?
The IUPAC name of 1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine (CID 111228005) is 1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine.
What is the SMILES notation for 1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine?
The canonical SMILES for 1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine is CCCN/C(=N/Cc1cnn(C)c1)NCC.
What is the InChIKey of 1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine?
The InChIKey is VMYMXLPVAUZBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-6-13-11(12-5-2)14-7-10-8-15-16(3)9-10/h8-9H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine?
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine has a molecular weight of 223.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine is sourced from PubChem (CID 111228005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).