4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole

C12H20ClFN2 — CID 82700633

IUPAC4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
SMILESCCc1nn(CCF)c(CC)c1C(Cl)CC
InChIInChI=1S/C12H20ClFN2/c1-4-9(13)12-10(5-2)15-16(8-7-14)11(12)6-3/h9H,4-8H2,1-3H3
InChIKeyAWMYRCDKBNKLEM-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.67
Rot. Bonds6

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

4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole (PubChem CID 82700633) has the molecular formula C12H20ClFN2 and a molecular weight of 246.76 g/mol. Its IUPAC name is 4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole.

Molecular Properties

Compound Name4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
PubChem CID82700633
Molecular FormulaC12H20ClFN2
Molecular Weight246.76 g/mol
Exact Mass246.13
IUPAC Name4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
SMILESCCc1nn(CCF)c(CC)c1C(Cl)CC
InChIInChI=1S/C12H20ClFN2/c1-4-9(13)12-10(5-2)15-16(8-7-14)11(12)6-3/h9H,4-8H2,1-3H3
InChIKeyAWMYRCDKBNKLEM-UHFFFAOYSA-N
XLogP3.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.67
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

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CID 6492154
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Cambridge id 6066293
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4-(2-chloroethyl)-1,3,5-trimethyl-1H-pyrazole
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(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
1,3,5-Trimethyl-4-propylpyrazole
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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
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4-Tert-butyl-5-fluoro-1-methyl-3-propylpyrazole
CID 57709315

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
The IUPAC name of 4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole (CID 82700633) is 4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole.
What is the SMILES notation for 4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
The canonical SMILES for 4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole is CCc1nn(CCF)c(CC)c1C(Cl)CC.
What is the InChIKey of 4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
The InChIKey is AWMYRCDKBNKLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClFN2/c1-4-9(13)12-10(5-2)15-16(8-7-14)11(12)6-3/h9H,4-8H2,1-3H3.
What are the key properties of 4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole has a molecular weight of 246.76 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole is sourced from PubChem (CID 82700633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).