1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine

C15H20FN5O — CID 111680912

IUPAC1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccn[nH]1)NCC(C)Oc1cccc(F)c1
InChIInChI=1S/C15H20FN5O/c1-11(22-14-5-3-4-12(16)8-14)9-18-15(17-2)19-10-13-6-7-20-21-13/h3-8,11H,9-10H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyYMEUZNTZTQJNDE-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.68
Rot. Bonds6

About 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine

1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine (PubChem CID 111680912) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
PubChem CID111680912
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccn[nH]1)NCC(C)Oc1cccc(F)c1
InChIInChI=1S/C15H20FN5O/c1-11(22-14-5-3-4-12(16)8-14)9-18-15(17-2)19-10-13-6-7-20-21-13/h3-8,11H,9-10H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyYMEUZNTZTQJNDE-UHFFFAOYSA-N
XLogP1.68
TPSA74.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.68
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-(3-fluorophenoxy)propyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111503140
1-benzyl-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111492793
1-[(3-fluorophenyl)methyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111877893
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111681476
1-[2-(3-fluorophenoxy)propyl]-3-[[4-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111681528
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111502904
1-(2-ethoxyethyl)-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine
CID 111682004
1-[2-(3-fluorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111503099
1-[2-(3-fluorophenoxy)propyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111681525
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine
CID 109404405
1-(2-ethoxyethyl)-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682003
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111681899

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
The IUPAC name of 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine (CID 111680912) is 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine is C/N=C(\NCc1ccn[nH]1)NCC(C)Oc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
The InChIKey is YMEUZNTZTQJNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-11(22-14-5-3-4-12(16)8-14)9-18-15(17-2)19-10-13-6-7-20-21-13/h3-8,11H,9-10H2,1-2H3,(H,20,21)(H2,17,18,19).
What are the key properties of 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine?
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine has a molecular weight of 305.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 111680912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).