4-ethyl-1-(3-fluorocyclobutyl)pyrazole

C9H13FN2 — CID 172592859

IUPAC4-ethyl-1-(3-fluorocyclobutyl)pyrazole
SMILESCCc1cnn(C2CC(F)C2)c1
InChIInChI=1S/C9H13FN2/c1-2-7-5-11-12(6-7)9-3-8(10)4-9/h5-6,8-9H,2-4H2,1H3
InChIKeyKHJGQGMYDZXXDF-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.12
Rot. Bonds2

About 4-ethyl-1-(3-fluorocyclobutyl)pyrazole

4-ethyl-1-(3-fluorocyclobutyl)pyrazole (PubChem CID 172592859) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 4-ethyl-1-(3-fluorocyclobutyl)pyrazole.

Molecular Properties

Compound Name4-ethyl-1-(3-fluorocyclobutyl)pyrazole
PubChem CID172592859
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name4-ethyl-1-(3-fluorocyclobutyl)pyrazole
SMILESCCc1cnn(C2CC(F)C2)c1
InChIInChI=1S/C9H13FN2/c1-2-7-5-11-12(6-7)9-3-8(10)4-9/h5-6,8-9H,2-4H2,1H3
InChIKeyKHJGQGMYDZXXDF-UHFFFAOYSA-N
XLogP2.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84731626
ethane;4-ethyl-1-(oxolan-3-yl)pyrazole
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CID 143829284
4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine
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1-(3-fluorocyclopentyl)-4-methylpyrazole
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[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]methanethiol
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(4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine
CID 66693955
(4S)-3-(4-ethylpyrazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 84663558
10-(4-ethylpyrazol-1-yl)spiro[4.5]decan-8-ol
CID 165497917
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
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1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole
CID 166122182

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-fluorocyclobutyl)pyrazole?
The IUPAC name of 4-ethyl-1-(3-fluorocyclobutyl)pyrazole (CID 172592859) is 4-ethyl-1-(3-fluorocyclobutyl)pyrazole.
What is the SMILES notation for 4-ethyl-1-(3-fluorocyclobutyl)pyrazole?
The canonical SMILES for 4-ethyl-1-(3-fluorocyclobutyl)pyrazole is CCc1cnn(C2CC(F)C2)c1.
What is the InChIKey of 4-ethyl-1-(3-fluorocyclobutyl)pyrazole?
The InChIKey is KHJGQGMYDZXXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-2-7-5-11-12(6-7)9-3-8(10)4-9/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 4-ethyl-1-(3-fluorocyclobutyl)pyrazole?
4-ethyl-1-(3-fluorocyclobutyl)pyrazole has a molecular weight of 168.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-fluorocyclobutyl)pyrazole is sourced from PubChem (CID 172592859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).