1H-pyrazole-5-carboximidoyl fluoride

C4H4FN3 — CID 137141126

IUPAC1H-pyrazole-5-carboximidoyl fluoride
SMILES[H]/N=C(\F)c1ccn[nH]1
InChIInChI=1S/C4H4FN3/c5-4(6)3-1-2-7-8-3/h1-2,6H,(H,7,8)/b6-4-
InChIKeyWCOPAKJWSGAYIW-XQRVVYSFSA-N
MW113.09 g/mol
LogP0.70
Rot. Bonds1

About 1H-pyrazole-5-carboximidoyl fluoride

1H-pyrazole-5-carboximidoyl fluoride (PubChem CID 137141126) has the molecular formula C4H4FN3 and a molecular weight of 113.09 g/mol. Its IUPAC name is 1H-pyrazole-5-carboximidoyl fluoride.

Molecular Properties

Compound Name1H-pyrazole-5-carboximidoyl fluoride
PubChem CID137141126
Molecular FormulaC4H4FN3
Molecular Weight113.09 g/mol
Exact Mass113.04
IUPAC Name1H-pyrazole-5-carboximidoyl fluoride
SMILES[H]/N=C(\F)c1ccn[nH]1
InChIInChI=1S/C4H4FN3/c5-4(6)3-1-2-7-8-3/h1-2,6H,(H,7,8)/b6-4-
InChIKeyWCOPAKJWSGAYIW-XQRVVYSFSA-N
XLogP0.70
TPSA52.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carboximidoyl fluoride?
The IUPAC name of 1H-pyrazole-5-carboximidoyl fluoride (CID 137141126) is 1H-pyrazole-5-carboximidoyl fluoride.
What is the SMILES notation for 1H-pyrazole-5-carboximidoyl fluoride?
The canonical SMILES for 1H-pyrazole-5-carboximidoyl fluoride is [H]/N=C(\F)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carboximidoyl fluoride?
The InChIKey is WCOPAKJWSGAYIW-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H4FN3/c5-4(6)3-1-2-7-8-3/h1-2,6H,(H,7,8)/b6-4-.
What are the key properties of 1H-pyrazole-5-carboximidoyl fluoride?
1H-pyrazole-5-carboximidoyl fluoride has a molecular weight of 113.09 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carboximidoyl fluoride is sourced from PubChem (CID 137141126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).