5-(chloromethyl)-4-fluoro-1H-pyrazole

C4H4ClFN2 — CID 135350699

IUPAC5-(chloromethyl)-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1CCl
InChIInChI=1S/C4H4ClFN2/c5-1-4-3(6)2-7-8-4/h2H,1H2,(H,7,8)
InChIKeyMJEISJHPALSTQK-UHFFFAOYSA-N
MW134.54 g/mol
LogP1.29
Rot. Bonds1

About 5-(chloromethyl)-4-fluoro-1H-pyrazole

5-(chloromethyl)-4-fluoro-1H-pyrazole (PubChem CID 135350699) has the molecular formula C4H4ClFN2 and a molecular weight of 134.54 g/mol. Its IUPAC name is 5-(chloromethyl)-4-fluoro-1H-pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-fluoro-1H-pyrazole
PubChem CID135350699
Molecular FormulaC4H4ClFN2
Molecular Weight134.54 g/mol
Exact Mass134.00
IUPAC Name5-(chloromethyl)-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1CCl
InChIInChI=1S/C4H4ClFN2/c5-1-4-3(6)2-7-8-4/h2H,1H2,(H,7,8)
InChIKeyMJEISJHPALSTQK-UHFFFAOYSA-N
XLogP1.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.54
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1H-pyrazole-5-carbonitrile
CID 22288727
5-(2-chloroethyl)-1H-pyrazol-4-amine
CID 90105424
4-chloro-5-ethyl-1H-pyrazole;ethane
CID 176927046
5-(hydroxymethyl)-1H-pyrazol-4-ol
CID 20557721
4-chloro-5-(3,4-difluorophenyl)-1H-pyrazole
CID 61395009
4-chloro-5-(2,4-difluorophenyl)-1H-pyrazole
CID 61395010
4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
CID 118289528
3-(4-bromo-1H-pyrazol-5-yl)propan-1-amine
CID 83881742
5-(4-bromophenyl)-4-fluoro-1H-pyrazole
CID 136576038
5-(ethoxymethyl)-4-methyl-1H-pyrazole
CID 166123228
3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine
CID 115011513
4-[(4-fluoro-1H-pyrazol-5-yl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 149329400

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-fluoro-1H-pyrazole?
The IUPAC name of 5-(chloromethyl)-4-fluoro-1H-pyrazole (CID 135350699) is 5-(chloromethyl)-4-fluoro-1H-pyrazole.
What is the SMILES notation for 5-(chloromethyl)-4-fluoro-1H-pyrazole?
The canonical SMILES for 5-(chloromethyl)-4-fluoro-1H-pyrazole is Fc1cn[nH]c1CCl.
What is the InChIKey of 5-(chloromethyl)-4-fluoro-1H-pyrazole?
The InChIKey is MJEISJHPALSTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFN2/c5-1-4-3(6)2-7-8-4/h2H,1H2,(H,7,8).
What are the key properties of 5-(chloromethyl)-4-fluoro-1H-pyrazole?
5-(chloromethyl)-4-fluoro-1H-pyrazole has a molecular weight of 134.54 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-fluoro-1H-pyrazole is sourced from PubChem (CID 135350699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).