N-fluoro-1H-pyrazole-4-carboxamide

C4H4FN3O — CID 142320691

IUPACN-fluoro-1H-pyrazole-4-carboxamide
SMILESO=C(NF)c1cn[nH]c1
InChIInChI=1S/C4H4FN3O/c5-8-4(9)3-1-6-7-2-3/h1-2H,(H,6,7)(H,8,9)
InChIKeyXMFXQXIXDMSLNP-UHFFFAOYSA-N
MW129.09 g/mol
LogP0.02
Rot. Bonds1

About N-fluoro-1H-pyrazole-4-carboxamide

N-fluoro-1H-pyrazole-4-carboxamide (PubChem CID 142320691) has the molecular formula C4H4FN3O and a molecular weight of 129.09 g/mol. Its IUPAC name is N-fluoro-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-fluoro-1H-pyrazole-4-carboxamide
PubChem CID142320691
Molecular FormulaC4H4FN3O
Molecular Weight129.09 g/mol
Exact Mass129.03
IUPAC NameN-fluoro-1H-pyrazole-4-carboxamide
SMILESO=C(NF)c1cn[nH]c1
InChIInChI=1S/C4H4FN3O/c5-8-4(9)3-1-6-7-2-3/h1-2H,(H,6,7)(H,8,9)
InChIKeyXMFXQXIXDMSLNP-UHFFFAOYSA-N
XLogP0.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-1H-pyrazole-4-carboxamide?
The IUPAC name of N-fluoro-1H-pyrazole-4-carboxamide (CID 142320691) is N-fluoro-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-fluoro-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-fluoro-1H-pyrazole-4-carboxamide is O=C(NF)c1cn[nH]c1.
What is the InChIKey of N-fluoro-1H-pyrazole-4-carboxamide?
The InChIKey is XMFXQXIXDMSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O/c5-8-4(9)3-1-6-7-2-3/h1-2H,(H,6,7)(H,8,9).
What are the key properties of N-fluoro-1H-pyrazole-4-carboxamide?
N-fluoro-1H-pyrazole-4-carboxamide has a molecular weight of 129.09 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 142320691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).