3-(difluoromethyl)-1,5-dipentylpyrazole

C14H24F2N2 — CID 70005775

IUPAC3-(difluoromethyl)-1,5-dipentylpyrazole
SMILESCCCCCc1cc(C(F)F)nn1CCCCC
InChIInChI=1S/C14H24F2N2/c1-3-5-7-9-12-11-13(14(15)16)17-18(12)10-8-6-4-2/h11,14H,3-10H2,1-2H3
InChIKeyGOUWUNVEAXEHAM-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.74
Rot. Bonds9

About 3-(difluoromethyl)-1,5-dipentylpyrazole

3-(difluoromethyl)-1,5-dipentylpyrazole (PubChem CID 70005775) has the molecular formula C14H24F2N2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,5-dipentylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1,5-dipentylpyrazole
PubChem CID70005775
Molecular FormulaC14H24F2N2
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-(difluoromethyl)-1,5-dipentylpyrazole
SMILESCCCCCc1cc(C(F)F)nn1CCCCC
InChIInChI=1S/C14H24F2N2/c1-3-5-7-9-12-11-13(14(15)16)17-18(12)10-8-6-4-2/h11,14H,3-10H2,1-2H3
InChIKeyGOUWUNVEAXEHAM-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,5-dipentylpyrazole?
The IUPAC name of 3-(difluoromethyl)-1,5-dipentylpyrazole (CID 70005775) is 3-(difluoromethyl)-1,5-dipentylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1,5-dipentylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-1,5-dipentylpyrazole is CCCCCc1cc(C(F)F)nn1CCCCC.
What is the InChIKey of 3-(difluoromethyl)-1,5-dipentylpyrazole?
The InChIKey is GOUWUNVEAXEHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2/c1-3-5-7-9-12-11-13(14(15)16)17-18(12)10-8-6-4-2/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1,5-dipentylpyrazole?
3-(difluoromethyl)-1,5-dipentylpyrazole has a molecular weight of 258.36 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,5-dipentylpyrazole is sourced from PubChem (CID 70005775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).