4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole

C13H22ClFN2 — CID 82700081

IUPAC4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole
SMILESCCc1nn(CCCF)c(CC)c1C(Cl)CC
InChIInChI=1S/C13H22ClFN2/c1-4-10(14)13-11(5-2)16-17(9-7-8-15)12(13)6-3/h10H,4-9H2,1-3H3
InChIKeySQDWHWRQFSDROJ-UHFFFAOYSA-N
MW260.78 g/mol
LogP4.06
Rot. Bonds7

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

4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole (PubChem CID 82700081) has the molecular formula C13H22ClFN2 and a molecular weight of 260.78 g/mol. Its IUPAC name is 4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole.

Molecular Properties

Compound Name4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole
PubChem CID82700081
Molecular FormulaC13H22ClFN2
Molecular Weight260.78 g/mol
Exact Mass260.15
IUPAC Name4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole
SMILESCCc1nn(CCCF)c(CC)c1C(Cl)CC
InChIInChI=1S/C13H22ClFN2/c1-4-10(14)13-11(5-2)16-17(9-7-8-15)12(13)6-3/h10H,4-9H2,1-3H3
InChIKeySQDWHWRQFSDROJ-UHFFFAOYSA-N
XLogP4.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.78
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole?
The IUPAC name of 4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole (CID 82700081) is 4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole.
What is the SMILES notation for 4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole?
The canonical SMILES for 4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole is CCc1nn(CCCF)c(CC)c1C(Cl)CC.
What is the InChIKey of 4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole?
The InChIKey is SQDWHWRQFSDROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClFN2/c1-4-10(14)13-11(5-2)16-17(9-7-8-15)12(13)6-3/h10H,4-9H2,1-3H3.
What are the key properties of 4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole?
4-(1-chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole has a molecular weight of 260.78 g/mol, XLogP of 4.06, 7 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-(3-fluoropropyl)pyrazole is sourced from PubChem (CID 82700081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).