4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide

C13H15BrN4O — CID 114904944

IUPAC4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Oc1cnn(CCC)c1
InChIInChI=1S/C13H15BrN4O/c1-2-5-18-8-10(7-17-18)19-12-6-9(14)3-4-11(12)13(15)16/h3-4,6-8H,2,5H2,1H3,(H3,15,16)
InChIKeyCMWXQVJWQKBOMB-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.13
Rot. Bonds5

About 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide

4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide (PubChem CID 114904944) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
PubChem CID114904944
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Oc1cnn(CCC)c1
InChIInChI=1S/C13H15BrN4O/c1-2-5-18-8-10(7-17-18)19-12-6-9(14)3-4-11(12)13(15)16/h3-4,6-8H,2,5H2,1H3,(H3,15,16)
InChIKeyCMWXQVJWQKBOMB-UHFFFAOYSA-N
XLogP3.13
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.13
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

5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114892810
1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801996
4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904864
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzoic acid
CID 114896196
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800467
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
4-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114904744
6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine
CID 116800405

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide (CID 114904944) is 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1Oc1cnn(CCC)c1.
What is the InChIKey of 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
The InChIKey is CMWXQVJWQKBOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-2-5-18-8-10(7-17-18)19-12-6-9(14)3-4-11(12)13(15)16/h3-4,6-8H,2,5H2,1H3,(H3,15,16).
What are the key properties of 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide has a molecular weight of 323.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 114904944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).