5-chloro-4-fluoro-1H-pyrazole

C3H2ClFN2 — CID 89416187

IUPAC5-chloro-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1Cl
InChIInChI=1S/C3H2ClFN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7)
InChIKeyBRZZGWVSCNBDJH-UHFFFAOYSA-N
MW120.51 g/mol
LogP1.20
Rot. Bonds

About 5-chloro-4-fluoro-1H-pyrazole

5-chloro-4-fluoro-1H-pyrazole (PubChem CID 89416187) has the molecular formula C3H2ClFN2 and a molecular weight of 120.51 g/mol. Its IUPAC name is 5-chloro-4-fluoro-1H-pyrazole.

Molecular Properties

Compound Name5-chloro-4-fluoro-1H-pyrazole
PubChem CID89416187
Molecular FormulaC3H2ClFN2
Molecular Weight120.51 g/mol
Exact Mass119.99
IUPAC Name5-chloro-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1Cl
InChIInChI=1S/C3H2ClFN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7)
InChIKeyBRZZGWVSCNBDJH-UHFFFAOYSA-N
XLogP1.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.51
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-1H-pyrazole?
The IUPAC name of 5-chloro-4-fluoro-1H-pyrazole (CID 89416187) is 5-chloro-4-fluoro-1H-pyrazole.
What is the SMILES notation for 5-chloro-4-fluoro-1H-pyrazole?
The canonical SMILES for 5-chloro-4-fluoro-1H-pyrazole is Fc1cn[nH]c1Cl.
What is the InChIKey of 5-chloro-4-fluoro-1H-pyrazole?
The InChIKey is BRZZGWVSCNBDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClFN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7).
What are the key properties of 5-chloro-4-fluoro-1H-pyrazole?
5-chloro-4-fluoro-1H-pyrazole has a molecular weight of 120.51 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-1H-pyrazole is sourced from PubChem (CID 89416187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).