5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide

C13H15FN4O — CID 116801547

IUPAC5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1cnn(CCC)c1
InChIInChI=1S/C13H15FN4O/c1-2-5-18-8-10(7-17-18)19-12-4-3-9(14)6-11(12)13(15)16/h3-4,6-8H,2,5H2,1H3,(H3,15,16)
InChIKeyMEEWMWPZRKVJKZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.51
Rot. Bonds5

About 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide

5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide (PubChem CID 116801547) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
PubChem CID116801547
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1cnn(CCC)c1
InChIInChI=1S/C13H15FN4O/c1-2-5-18-8-10(7-17-18)19-12-4-3-9(14)6-11(12)13(15)16/h3-4,6-8H,2,5H2,1H3,(H3,15,16)
InChIKeyMEEWMWPZRKVJKZ-UHFFFAOYSA-N
XLogP2.51
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114904944
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzonitrile
CID 116801252
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114892810
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304
3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
CID 116800410
2-(3-bromophenoxy)-5-fluorobenzenecarboximidamide
CID 63668840

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide (CID 116801547) is 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Oc1cnn(CCC)c1.
What is the InChIKey of 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
The InChIKey is MEEWMWPZRKVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-2-5-18-8-10(7-17-18)19-12-4-3-9(14)6-11(12)13(15)16/h3-4,6-8H,2,5H2,1H3,(H3,15,16).
What are the key properties of 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide has a molecular weight of 262.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 116801547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).