2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine

C25H33N5O2 — CID 110925622

IUPAC2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine
SMILESCCOCCCN/C(=N\Cc1cnn(Cc2ccccc2)c1)NCc1ccc(OC)cc1
InChIInChI=1S/C25H33N5O2/c1-3-32-15-7-14-26-25(27-16-21-10-12-24(31-2)13-11-21)28-17-23-18-29-30(20-23)19-22-8-5-4-6-9-22/h4-6,8-13,18,20H,3,7,14-17,19H2,1-2H3,(H2,26,27,28)
InChIKeyUAZOWFSPIATAMF-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.60
Rot. Bonds12

About 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine

2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine (PubChem CID 110925622) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine
PubChem CID110925622
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine
SMILESCCOCCCN/C(=N\Cc1cnn(Cc2ccccc2)c1)NCc1ccc(OC)cc1
InChIInChI=1S/C25H33N5O2/c1-3-32-15-7-14-26-25(27-16-21-10-12-24(31-2)13-11-21)28-17-23-18-29-30(20-23)19-22-8-5-4-6-9-22/h4-6,8-13,18,20H,3,7,14-17,19H2,1-2H3,(H2,26,27,28)
InChIKeyUAZOWFSPIATAMF-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-benzylpyrazol-4-yl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111944712
1-(3-ethoxypropyl)-2-[(4-methoxyphenyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110925785
1-(3-ethoxypropyl)-3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 110924918
1-(3-ethoxypropyl)-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 110925772
2-[(1-benzylpyrazol-4-yl)methyl]-1-ethyl-3-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111250388
1-[(1-benzylpyrazol-4-yl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111410009
1-[(1-benzylpyrazol-4-yl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111895497
1-(3-ethoxypropyl)-2-[(4-methoxyphenyl)methyl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine
CID 110026752
1-(3-ethoxypropyl)-2-[(4-methoxyphenyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide
CID 110925788
1-(3-ethoxypropyl)-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110928223
1-(3-ethoxypropyl)-2-[(4-methoxyphenyl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 110926170
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 110925665

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine?
The IUPAC name of 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine (CID 110925622) is 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine is CCOCCCN/C(=N\Cc1cnn(Cc2ccccc2)c1)NCc1ccc(OC)cc1.
What is the InChIKey of 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine?
The InChIKey is UAZOWFSPIATAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-32-15-7-14-26-25(27-16-21-10-12-24(31-2)13-11-21)28-17-23-18-29-30(20-23)19-22-8-5-4-6-9-22/h4-6,8-13,18,20H,3,7,14-17,19H2,1-2H3,(H2,26,27,28).
What are the key properties of 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine?
2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine has a molecular weight of 435.57 g/mol, XLogP of 3.60, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-4-yl)methyl]-1-(3-ethoxypropyl)-3-[(4-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 110925622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).