2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C7H8BrF3N4O — CID 103370280

IUPAC2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESN/C(=N/O)C(Cn1cc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H8BrF3N4O/c8-4-1-13-15(2-4)3-5(6(12)14-16)7(9,10)11/h1-2,5,16H,3H2,(H2,12,14)
InChIKeyPZQWRFAMZPALSN-UHFFFAOYSA-N
MW301.07 g/mol
LogP1.57
Rot. Bonds3

About 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370280) has the molecular formula C7H8BrF3N4O and a molecular weight of 301.07 g/mol. Its IUPAC name is 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370280
Molecular FormulaC7H8BrF3N4O
Molecular Weight301.07 g/mol
Exact Mass299.98
IUPAC Name2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESN/C(=N/O)C(Cn1cc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H8BrF3N4O/c8-4-1-13-15(2-4)3-5(6(12)14-16)7(9,10)11/h1-2,5,16H,3H2,(H2,12,14)
InChIKeyPZQWRFAMZPALSN-UHFFFAOYSA-N
XLogP1.57
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 51.57
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370280) is 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is N/C(=N/O)C(Cn1cc(Br)cn1)C(F)(F)F.
What is the InChIKey of 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is PZQWRFAMZPALSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N4O/c8-4-1-13-15(2-4)3-5(6(12)14-16)7(9,10)11/h1-2,5,16H,3H2,(H2,12,14).
What are the key properties of 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 301.07 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).