5-(3-fluoropropyl)-3-methyl-3H-pyrazole

C7H11FN2 — CID 70302738

IUPAC5-(3-fluoropropyl)-3-methyl-3H-pyrazole
SMILESCC1C=C(CCCF)N=N1
InChIInChI=1S/C7H11FN2/c1-6-5-7(10-9-6)3-2-4-8/h5-6H,2-4H2,1H3
InChIKeyCTRTZJGGTUNQGN-UHFFFAOYSA-N
MW142.18 g/mol
LogP2.47
Rot. Bonds3

About 5-(3-fluoropropyl)-3-methyl-3H-pyrazole

5-(3-fluoropropyl)-3-methyl-3H-pyrazole (PubChem CID 70302738) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-3-methyl-3H-pyrazole.

Molecular Properties

Compound Name5-(3-fluoropropyl)-3-methyl-3H-pyrazole
PubChem CID70302738
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name5-(3-fluoropropyl)-3-methyl-3H-pyrazole
SMILESCC1C=C(CCCF)N=N1
InChIInChI=1S/C7H11FN2/c1-6-5-7(10-9-6)3-2-4-8/h5-6H,2-4H2,1H3
InChIKeyCTRTZJGGTUNQGN-UHFFFAOYSA-N
XLogP2.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-3-methyl-3H-pyrazole?
The IUPAC name of 5-(3-fluoropropyl)-3-methyl-3H-pyrazole (CID 70302738) is 5-(3-fluoropropyl)-3-methyl-3H-pyrazole.
What is the SMILES notation for 5-(3-fluoropropyl)-3-methyl-3H-pyrazole?
The canonical SMILES for 5-(3-fluoropropyl)-3-methyl-3H-pyrazole is CC1C=C(CCCF)N=N1.
What is the InChIKey of 5-(3-fluoropropyl)-3-methyl-3H-pyrazole?
The InChIKey is CTRTZJGGTUNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-6-5-7(10-9-6)3-2-4-8/h5-6H,2-4H2,1H3.
What are the key properties of 5-(3-fluoropropyl)-3-methyl-3H-pyrazole?
5-(3-fluoropropyl)-3-methyl-3H-pyrazole has a molecular weight of 142.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-3-methyl-3H-pyrazole is sourced from PubChem (CID 70302738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).