1-(3-fluoropropyl)pyrazole

C6H9FN2 — CID 81113688

IUPAC1-(3-fluoropropyl)pyrazole
SMILESFCCCn1cccn1
InChIInChI=1S/C6H9FN2/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5H2
InChIKeyUNFAMRMQUAOMTB-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.24
Rot. Bonds3

About 1-(3-fluoropropyl)pyrazole

1-(3-fluoropropyl)pyrazole (PubChem CID 81113688) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 1-(3-fluoropropyl)pyrazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)pyrazole
PubChem CID81113688
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name1-(3-fluoropropyl)pyrazole
SMILESFCCCn1cccn1
InChIInChI=1S/C6H9FN2/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5H2
InChIKeyUNFAMRMQUAOMTB-UHFFFAOYSA-N
XLogP1.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)pyrazole?
The IUPAC name of 1-(3-fluoropropyl)pyrazole (CID 81113688) is 1-(3-fluoropropyl)pyrazole.
What is the SMILES notation for 1-(3-fluoropropyl)pyrazole?
The canonical SMILES for 1-(3-fluoropropyl)pyrazole is FCCCn1cccn1.
What is the InChIKey of 1-(3-fluoropropyl)pyrazole?
The InChIKey is UNFAMRMQUAOMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5H2.
What are the key properties of 1-(3-fluoropropyl)pyrazole?
1-(3-fluoropropyl)pyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)pyrazole is sourced from PubChem (CID 81113688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).