1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine

C16H23N5O — CID 111388354

IUPAC1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(/NCCc1cc(C)ccc1OC)NCc1ccn[nH]1
InChIInChI=1S/C16H23N5O/c1-12-4-5-15(22-3)13(10-12)6-8-18-16(17-2)19-11-14-7-9-20-21-14/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyZFYHXYBVIRSSHO-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.63
Rot. Bonds6

About 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine

1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine (PubChem CID 111388354) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
PubChem CID111388354
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(/NCCc1cc(C)ccc1OC)NCc1ccn[nH]1
InChIInChI=1S/C16H23N5O/c1-12-4-5-15(22-3)13(10-12)6-8-18-16(17-2)19-11-14-7-9-20-21-14/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyZFYHXYBVIRSSHO-UHFFFAOYSA-N
XLogP1.63
TPSA74.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)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-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111368350
2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60976765
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970746
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360792
1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 111389574
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778874
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134986
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111388562
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111389091
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125264
1-(3-cyclopropylpropyl)-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
CID 111797456
methyl 4-[[[N-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162367

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
The IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine (CID 111388354) is 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine is C/N=C(/NCCc1cc(C)ccc1OC)NCc1ccn[nH]1.
What is the InChIKey of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
The InChIKey is ZFYHXYBVIRSSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-4-5-15(22-3)13(10-12)6-8-18-16(17-2)19-11-14-7-9-20-21-14/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,20,21)(H2,17,18,19).
What are the key properties of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine has a molecular weight of 301.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 111388354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).