N-(4-bromo-1H-pyrazol-5-yl)formamide

C4H4BrN3O — CID 6424434

IUPACN-(4-bromo-1H-pyrazol-5-yl)formamide
SMILESO=CNc1[nH]ncc1Br
InChIInChI=1S/C4H4BrN3O/c5-3-1-7-8-4(3)6-2-9/h1-2H,(H2,6,7,8,9)
InChIKeyVSSWXUYHLPLPSO-UHFFFAOYSA-N
MW190.00 g/mol
LogP0.74
Rot. Bonds2

About N-(4-bromo-1H-pyrazol-5-yl)formamide

N-(4-bromo-1H-pyrazol-5-yl)formamide (PubChem CID 6424434) has the molecular formula C4H4BrN3O and a molecular weight of 190.00 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrazol-5-yl)formamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrazol-5-yl)formamide
PubChem CID6424434
Molecular FormulaC4H4BrN3O
Molecular Weight190.00 g/mol
Exact Mass188.95
IUPAC NameN-(4-bromo-1H-pyrazol-5-yl)formamide
SMILESO=CNc1[nH]ncc1Br
InChIInChI=1S/C4H4BrN3O/c5-3-1-7-8-4(3)6-2-9/h1-2H,(H2,6,7,8,9)
InChIKeyVSSWXUYHLPLPSO-UHFFFAOYSA-N
XLogP0.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)formamide?
The IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)formamide (CID 6424434) is N-(4-bromo-1H-pyrazol-5-yl)formamide.
What is the SMILES notation for N-(4-bromo-1H-pyrazol-5-yl)formamide?
The canonical SMILES for N-(4-bromo-1H-pyrazol-5-yl)formamide is O=CNc1[nH]ncc1Br.
What is the InChIKey of N-(4-bromo-1H-pyrazol-5-yl)formamide?
The InChIKey is VSSWXUYHLPLPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3O/c5-3-1-7-8-4(3)6-2-9/h1-2H,(H2,6,7,8,9).
What are the key properties of N-(4-bromo-1H-pyrazol-5-yl)formamide?
N-(4-bromo-1H-pyrazol-5-yl)formamide has a molecular weight of 190.00 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-pyrazol-5-yl)formamide is sourced from PubChem (CID 6424434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).