1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine

C17H25N5 — CID 111948287

IUPAC1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccn[nH]1)NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H25N5/c1-4-18-16(19-12-15-10-11-21-22-15)20-13-17(2,3)14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-3H3,(H,21,22)(H2,18,19,20)
InChIKeyBBLFPGLEVHWRLD-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.44
Rot. Bonds6

About 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine

1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine (PubChem CID 111948287) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
PubChem CID111948287
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccn[nH]1)NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H25N5/c1-4-18-16(19-12-15-10-11-21-22-15)20-13-17(2,3)14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-3H3,(H,21,22)(H2,18,19,20)
InChIKeyBBLFPGLEVHWRLD-UHFFFAOYSA-N
XLogP2.44
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-methyl-1-(2-methyl-2-phenylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111948763
1-ethyl-3-(2-phenylethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111135778
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111671513
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111320616
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111665060
1-ethyl-3-(2-methyl-2-phenylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111551678
1-ethyl-2-(1H-pyrazol-5-ylmethyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192549
1-ethyl-3-(2-methyl-2-phenylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111948740
1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 110938759
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111534907
1-ethyl-3-(2-methyl-2-phenylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014498
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111607614

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine (CID 111948287) is 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine is CCN/C(=N\Cc1ccn[nH]1)NCC(C)(C)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
The InChIKey is BBLFPGLEVHWRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-4-18-16(19-12-15-10-11-21-22-15)20-13-17(2,3)14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-3H3,(H,21,22)(H2,18,19,20).
What are the key properties of 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine has a molecular weight of 299.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 111948287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).