1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole

C10H17FN2 — CID 118303933

IUPAC1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole
SMILESCC(C)C(C)c1cnn(CCF)c1
InChIInChI=1S/C10H17FN2/c1-8(2)9(3)10-6-12-13(7-10)5-4-11/h6-9H,4-5H2,1-3H3
InChIKeySXLWYPHTCVIXTI-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.61
Rot. Bonds4

About 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole

1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole (PubChem CID 118303933) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole
PubChem CID118303933
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole
SMILESCC(C)C(C)c1cnn(CCF)c1
InChIInChI=1S/C10H17FN2/c1-8(2)9(3)10-6-12-13(7-10)5-4-11/h6-9H,4-5H2,1-3H3
InChIKeySXLWYPHTCVIXTI-UHFFFAOYSA-N
XLogP2.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole (CID 118303933) is 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole is CC(C)C(C)c1cnn(CCF)c1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole?
The InChIKey is SXLWYPHTCVIXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-8(2)9(3)10-6-12-13(7-10)5-4-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole?
1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole has a molecular weight of 184.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(3-methylbutan-2-yl)pyrazole is sourced from PubChem (CID 118303933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).