1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole

C9H15FN2 — CID 118303932

IUPAC1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn(CCF)c1
InChIInChI=1S/C9H15FN2/c1-8(2)5-9-6-11-12(7-9)4-3-10/h6-8H,3-5H2,1-2H3
InChIKeyFRUNEBNXVYPADK-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.05
Rot. Bonds4

About 1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole

1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole (PubChem CID 118303932) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole
PubChem CID118303932
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn(CCF)c1
InChIInChI=1S/C9H15FN2/c1-8(2)5-9-6-11-12(7-9)4-3-10/h6-8H,3-5H2,1-2H3
InChIKeyFRUNEBNXVYPADK-UHFFFAOYSA-N
XLogP2.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.05
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-(2-methylpropyl)pyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole (CID 118303932) is 1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole is CC(C)Cc1cnn(CCF)c1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole?
The InChIKey is FRUNEBNXVYPADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-8(2)5-9-6-11-12(7-9)4-3-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole?
1-(2-fluoroethyl)-4-(2-methylpropyl)pyrazole has a molecular weight of 170.23 g/mol, XLogP of 2.05, 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-(2-methylpropyl)pyrazole is sourced from PubChem (CID 118303932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).