1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine

C18H28N6 — CID 111011225

IUPAC1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESCCN(CC)C(CN/C(=N/C)NCc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C18H28N6/c1-4-24(5-2)17(15-9-7-6-8-10-15)14-21-18(19-3)20-13-16-11-12-22-23-16/h6-12,17H,4-5,13-14H2,1-3H3,(H,22,23)(H2,19,20,21)
InChIKeyMVZJLWGSFMPRID-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.16
Rot. Bonds8

About 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine

1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine (PubChem CID 111011225) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
PubChem CID111011225
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESCCN(CC)C(CN/C(=N/C)NCc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C18H28N6/c1-4-24(5-2)17(15-9-7-6-8-10-15)14-21-18(19-3)20-13-16-11-12-22-23-16/h6-12,17H,4-5,13-14H2,1-3H3,(H,22,23)(H2,19,20,21)
InChIKeyMVZJLWGSFMPRID-UHFFFAOYSA-N
XLogP2.16
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.16
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

1-(2-ethylbutyl)-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111891774
2-methyl-1-(2-phenylsulfanylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111676611
1-[2-(diethylamino)-2-phenylethyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111010701
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981969
1-[2-(diethylamino)-2-phenylethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylguanidine
CID 111011051
1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide
CID 111010920
1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine
CID 111791378
1-[2-(diethylamino)-2-phenylethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 111011015
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111011131
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111011147
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111948763
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine;hydroiodide
CID 111011272

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
The IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine (CID 111011225) is 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine is CCN(CC)C(CN/C(=N/C)NCc1ccn[nH]1)c1ccccc1.
What is the InChIKey of 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
The InChIKey is MVZJLWGSFMPRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-4-24(5-2)17(15-9-7-6-8-10-15)14-21-18(19-3)20-13-16-11-12-22-23-16/h6-12,17H,4-5,13-14H2,1-3H3,(H,22,23)(H2,19,20,21).
What are the key properties of 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine has a molecular weight of 328.46 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 111011225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).