2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole

C8H15FN2 — CID 170003087

IUPAC2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole
SMILESCC(C)C1=CN(C(C)F)NC1
InChIInChI=1S/C8H15FN2/c1-6(2)8-4-10-11(5-8)7(3)9/h5-7,10H,4H2,1-3H3
InChIKeyFNDFMROUIXXWAN-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.66
Rot. Bonds2

About 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole

2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole (PubChem CID 170003087) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole
PubChem CID170003087
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole
SMILESCC(C)C1=CN(C(C)F)NC1
InChIInChI=1S/C8H15FN2/c1-6(2)8-4-10-11(5-8)7(3)9/h5-7,10H,4H2,1-3H3
InChIKeyFNDFMROUIXXWAN-UHFFFAOYSA-N
XLogP1.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole?
The IUPAC name of 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole (CID 170003087) is 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole.
What is the SMILES notation for 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole?
The canonical SMILES for 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole is CC(C)C1=CN(C(C)F)NC1.
What is the InChIKey of 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole?
The InChIKey is FNDFMROUIXXWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-6(2)8-4-10-11(5-8)7(3)9/h5-7,10H,4H2,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole?
2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole has a molecular weight of 158.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-4-propan-2-yl-1,5-dihydropyrazole is sourced from PubChem (CID 170003087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).