1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole

C11H15FN4 — CID 166837088

IUPAC1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole
SMILESCCn1ncc(C(C)c2[nH]ncc2F)c1C
InChIInChI=1S/C11H15FN4/c1-4-16-8(3)9(5-14-16)7(2)11-10(12)6-13-15-11/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyAMQBBAFGJAWCFQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.23
Rot. Bonds3

About 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole

1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole (PubChem CID 166837088) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole
PubChem CID166837088
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole
SMILESCCn1ncc(C(C)c2[nH]ncc2F)c1C
InChIInChI=1S/C11H15FN4/c1-4-16-8(3)9(5-14-16)7(2)11-10(12)6-13-15-11/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyAMQBBAFGJAWCFQ-UHFFFAOYSA-N
XLogP2.23
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole?
The IUPAC name of 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole (CID 166837088) is 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole.
What is the SMILES notation for 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole?
The canonical SMILES for 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole is CCn1ncc(C(C)c2[nH]ncc2F)c1C.
What is the InChIKey of 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole?
The InChIKey is AMQBBAFGJAWCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c1-4-16-8(3)9(5-14-16)7(2)11-10(12)6-13-15-11/h5-7H,4H2,1-3H3,(H,13,15).
What are the key properties of 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole?
1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole has a molecular weight of 222.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(4-fluoro-1H-pyrazol-5-yl)ethyl]-5-methylpyrazole is sourced from PubChem (CID 166837088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).