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

C3H2ClFN2 — CID 105427197

IUPAC4-chloro-5-fluoro-1H-pyrazole
SMILESFc1[nH]ncc1Cl
InChIInChI=1S/C3H2ClFN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyFZIUXGRRHYSHQH-UHFFFAOYSA-N
MW120.51 g/mol
LogP1.20
Rot. Bonds

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

4-chloro-5-fluoro-1H-pyrazole (PubChem CID 105427197) has the molecular formula C3H2ClFN2 and a molecular weight of 120.51 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-fluoro-1H-pyrazole
PubChem CID105427197
Molecular FormulaC3H2ClFN2
Molecular Weight120.51 g/mol
Exact Mass119.99
IUPAC Name4-chloro-5-fluoro-1H-pyrazole
SMILESFc1[nH]ncc1Cl
InChIInChI=1S/C3H2ClFN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyFZIUXGRRHYSHQH-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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Related Compounds

1H-Pyrazole, 4-chloro-
CID 27524
4-fluoro-1H-pyrazole
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5-bromo-4-chloro-1H-pyrazole
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4-bromo-3-chloro-1H-pyrazole
CID 13013118
4-bromo-5-fluoro-1H-pyrazole
CID 84651997
3-Iodo-4-chloro-1H-pyrazole
CID 90884073
3,4-dichloro-1H-pyrazole
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3,4-Difluoro-1H-pyrazole
CID 12529273
4-Chloro-1H-pyrazol-1-amine
CID 13133629
3-Chloro-4-iodo-1H-pyrazole
CID 23537420
4-Fluoro-3-iodo-1H-pyrazole
CID 86052945
3-chloro-4-fluoro-1H-pyrazole
CID 89416187

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1H-pyrazole?
The IUPAC name of 4-chloro-5-fluoro-1H-pyrazole (CID 105427197) is 4-chloro-5-fluoro-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-fluoro-1H-pyrazole?
The canonical SMILES for 4-chloro-5-fluoro-1H-pyrazole is Fc1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-fluoro-1H-pyrazole?
The InChIKey is FZIUXGRRHYSHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClFN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7).
What are the key properties of 4-chloro-5-fluoro-1H-pyrazole?
4-chloro-5-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 4-chloro-5-fluoro-1H-pyrazole is sourced from PubChem (CID 105427197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).