4-chloro-1-ethyl-5-fluoropyrazole

C5H6ClFN2 — CID 105429239

IUPAC4-chloro-1-ethyl-5-fluoropyrazole
SMILESCCn1ncc(Cl)c1F
InChIInChI=1S/C5H6ClFN2/c1-2-9-5(7)4(6)3-8-9/h3H,2H2,1H3
InChIKeyYPDDCPWWLJFBGG-UHFFFAOYSA-N
MW148.57 g/mol
LogP1.70
Rot. Bonds1

About 4-chloro-1-ethyl-5-fluoropyrazole

4-chloro-1-ethyl-5-fluoropyrazole (PubChem CID 105429239) has the molecular formula C5H6ClFN2 and a molecular weight of 148.57 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-fluoropyrazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-fluoropyrazole
PubChem CID105429239
Molecular FormulaC5H6ClFN2
Molecular Weight148.57 g/mol
Exact Mass148.02
IUPAC Name4-chloro-1-ethyl-5-fluoropyrazole
SMILESCCn1ncc(Cl)c1F
InChIInChI=1S/C5H6ClFN2/c1-2-9-5(7)4(6)3-8-9/h3H,2H2,1H3
InChIKeyYPDDCPWWLJFBGG-UHFFFAOYSA-N
XLogP1.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.57
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-5-fluoro-4-methylpyrazole
CID 169218374
1-ethyl-5-fluoropyrazole-4-carbonyl chloride
CID 90480915
(1-ethyl-5-fluoropyrazol-4-yl)methanamine
CID 115011510
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063
1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 105040619
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648608
4-chloro-1-ethylpyrazole-5-carboximidamide
CID 83874157
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
3-(4-chloro-1-ethylpyrazol-5-yl)-5-fluorobenzoic acid
CID 164526916
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115834899

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-fluoropyrazole?
The IUPAC name of 4-chloro-1-ethyl-5-fluoropyrazole (CID 105429239) is 4-chloro-1-ethyl-5-fluoropyrazole.
What is the SMILES notation for 4-chloro-1-ethyl-5-fluoropyrazole?
The canonical SMILES for 4-chloro-1-ethyl-5-fluoropyrazole is CCn1ncc(Cl)c1F.
What is the InChIKey of 4-chloro-1-ethyl-5-fluoropyrazole?
The InChIKey is YPDDCPWWLJFBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN2/c1-2-9-5(7)4(6)3-8-9/h3H,2H2,1H3.
What are the key properties of 4-chloro-1-ethyl-5-fluoropyrazole?
4-chloro-1-ethyl-5-fluoropyrazole has a molecular weight of 148.57 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-fluoropyrazole is sourced from PubChem (CID 105429239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).