1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine

C16H22FN5 — CID 86777915

IUPAC1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine
SMILESCCNC(=NCCc1ccn(-c2ccc(F)cc2)n1)NCC
InChIInChI=1S/C16H22FN5/c1-3-18-16(19-4-2)20-11-9-14-10-12-22(21-14)15-7-5-13(17)6-8-15/h5-8,10,12H,3-4,9,11H2,1-2H3,(H2,18,19,20)
InChIKeyGIUYGVGLENKECJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.13
Rot. Bonds6

About 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine

1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine (PubChem CID 86777915) has the molecular formula C16H22FN5 and a molecular weight of 303.39 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine
PubChem CID86777915
Molecular FormulaC16H22FN5
Molecular Weight303.39 g/mol
Exact Mass303.19
IUPAC Name1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine
SMILESCCNC(=NCCc1ccn(-c2ccc(F)cc2)n1)NCC
InChIInChI=1S/C16H22FN5/c1-3-18-16(19-4-2)20-11-9-14-10-12-22(21-14)15-7-5-13(17)6-8-15/h5-8,10,12H,3-4,9,11H2,1-2H3,(H2,18,19,20)
InChIKeyGIUYGVGLENKECJ-UHFFFAOYSA-N
XLogP2.13
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
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-ethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-propan-2-ylguanidine
CID 111510388
1-ethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136924564
1-ethyl-3-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111512027
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine
CID 111518601
N,N-diethyl-2-[[N-ethyl-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]carbamimidoyl]-methylamino]acetamide
CID 111510071
N-ethyl-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379088
1,1-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine;hydroiodide
CID 111821247
N-tert-butyl-2-[[ethylamino-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111518750
1-tert-butyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine;hydroiodide
CID 111821251
3-ethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109496223
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512857
1-ethyl-3-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111513447

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine?
The IUPAC name of 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine (CID 86777915) is 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine.
What is the SMILES notation for 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine?
The canonical SMILES for 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine is CCNC(=NCCc1ccn(-c2ccc(F)cc2)n1)NCC.
What is the InChIKey of 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine?
The InChIKey is GIUYGVGLENKECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5/c1-3-18-16(19-4-2)20-11-9-14-10-12-22(21-14)15-7-5-13(17)6-8-15/h5-8,10,12H,3-4,9,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine?
1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine has a molecular weight of 303.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine is sourced from PubChem (CID 86777915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).