4-(3-fluoropropoxy)-1-propylpyrazole

C9H15FN2O — CID 116805131

IUPAC4-(3-fluoropropoxy)-1-propylpyrazole
SMILESCCCn1cc(OCCCF)cn1
InChIInChI=1S/C9H15FN2O/c1-2-5-12-8-9(7-11-12)13-6-3-4-10/h7-8H,2-6H2,1H3
InChIKeyGYCPAAMDTDVUNN-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.03
Rot. Bonds6

About 4-(3-fluoropropoxy)-1-propylpyrazole

4-(3-fluoropropoxy)-1-propylpyrazole (PubChem CID 116805131) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-(3-fluoropropoxy)-1-propylpyrazole.

Molecular Properties

Compound Name4-(3-fluoropropoxy)-1-propylpyrazole
PubChem CID116805131
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name4-(3-fluoropropoxy)-1-propylpyrazole
SMILESCCCn1cc(OCCCF)cn1
InChIInChI=1S/C9H15FN2O/c1-2-5-12-8-9(7-11-12)13-6-3-4-10/h7-8H,2-6H2,1H3
InChIKeyGYCPAAMDTDVUNN-UHFFFAOYSA-N
XLogP2.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(3-fluoropropoxy)-1-propylpyrazole?
The IUPAC name of 4-(3-fluoropropoxy)-1-propylpyrazole (CID 116805131) is 4-(3-fluoropropoxy)-1-propylpyrazole.
What is the SMILES notation for 4-(3-fluoropropoxy)-1-propylpyrazole?
The canonical SMILES for 4-(3-fluoropropoxy)-1-propylpyrazole is CCCn1cc(OCCCF)cn1.
What is the InChIKey of 4-(3-fluoropropoxy)-1-propylpyrazole?
The InChIKey is GYCPAAMDTDVUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-2-5-12-8-9(7-11-12)13-6-3-4-10/h7-8H,2-6H2,1H3.
What are the key properties of 4-(3-fluoropropoxy)-1-propylpyrazole?
4-(3-fluoropropoxy)-1-propylpyrazole has a molecular weight of 186.23 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropoxy)-1-propylpyrazole is sourced from PubChem (CID 116805131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).