4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole

C10H16ClFN2 — CID 80694492

IUPAC4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole
SMILESCCC(Cl)c1c(C)nn(CCF)c1C
InChIInChI=1S/C10H16ClFN2/c1-4-9(11)10-7(2)13-14(6-5-12)8(10)3/h9H,4-6H2,1-3H3
InChIKeyWUUNGUULFZWKQM-UHFFFAOYSA-N
MW218.70 g/mol
LogP3.16
Rot. Bonds4

About 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole

4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole (PubChem CID 80694492) has the molecular formula C10H16ClFN2 and a molecular weight of 218.70 g/mol. Its IUPAC name is 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole
PubChem CID80694492
Molecular FormulaC10H16ClFN2
Molecular Weight218.70 g/mol
Exact Mass218.10
IUPAC Name4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole
SMILESCCC(Cl)c1c(C)nn(CCF)c1C
InChIInChI=1S/C10H16ClFN2/c1-4-9(11)10-7(2)13-14(6-5-12)8(10)3/h9H,4-6H2,1-3H3
InChIKeyWUUNGUULFZWKQM-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
4-(2-chloroethyl)-1,3,5-trimethyl-1H-pyrazole
CID 23005969
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
1,3,5-Trimethyl-4-propylpyrazole
CID 13792879
4-Butyl-1,3,5-trimethylpyrazole
CID 127012036
Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-
CID 140239
4-(1,2-Dichloroethyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 22380993
5-Fluoro-1,3-dimethyl-4-(3-methylpentan-3-yl)pyrazole
CID 57647571
4-Tert-butyl-3-ethyl-5-fluoro-1-methylpyrazole
CID 57709287
4-Tert-butyl-5-fluoro-1-methyl-3-propan-2-ylpyrazole
CID 57709313
3,4-Ditert-butyl-5-fluoro-1-methylpyrazole
CID 57709316
4-Tert-butyl-5-chloro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 57709427

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole (CID 80694492) is 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole is CCC(Cl)c1c(C)nn(CCF)c1C.
What is the InChIKey of 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole?
The InChIKey is WUUNGUULFZWKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClFN2/c1-4-9(11)10-7(2)13-14(6-5-12)8(10)3/h9H,4-6H2,1-3H3.
What are the key properties of 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole?
4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole has a molecular weight of 218.70 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 80694492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).