2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine

C18H19N5O — CID 67386657

IUPAC2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine
SMILESCOc1ccccc1C/N=C(\N)Nc1[nH]ncc1-c1ccccc1
InChIInChI=1S/C18H19N5O/c1-24-16-10-6-5-9-14(16)11-20-18(19)22-17-15(12-21-23-17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H4,19,20,21,22,23)
InChIKeyIGDSUPCVCPPCAC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.01
Rot. Bonds5

About 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine

2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine (PubChem CID 67386657) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine
PubChem CID67386657
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine
SMILESCOc1ccccc1C/N=C(\N)Nc1[nH]ncc1-c1ccccc1
InChIInChI=1S/C18H19N5O/c1-24-16-10-6-5-9-14(16)11-20-18(19)22-17-15(12-21-23-17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H4,19,20,21,22,23)
InChIKeyIGDSUPCVCPPCAC-UHFFFAOYSA-N
XLogP3.01
TPSA88.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.01
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'}

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Related Compounds

2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
CID 67532251
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
1-isoquinolin-3-yl-2-[(2-methoxyphenyl)methyl]guanidine
CID 67531748
acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 67387494
1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 67532961
2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
CID 110918169
1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111025242
2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046155
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
but-2-enedioic acid;1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 161026178
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
2-[(2-ethoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111044251

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine (CID 67386657) is 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine is COc1ccccc1C/N=C(\N)Nc1[nH]ncc1-c1ccccc1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine?
The InChIKey is IGDSUPCVCPPCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-24-16-10-6-5-9-14(16)11-20-18(19)22-17-15(12-21-23-17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H4,19,20,21,22,23).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine?
2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine has a molecular weight of 321.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine is sourced from PubChem (CID 67386657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).