5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole

C7H13FN2 — CID 123389407

IUPAC5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole
SMILESCC1=CN(C)NC1C(C)F
InChIInChI=1S/C7H13FN2/c1-5-4-10(3)9-7(5)6(2)8/h4,6-7,9H,1-3H3
InChIKeyODMWJLMBNXCNRD-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.07
Rot. Bonds1

About 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole

5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole (PubChem CID 123389407) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole
PubChem CID123389407
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole
SMILESCC1=CN(C)NC1C(C)F
InChIInChI=1S/C7H13FN2/c1-5-4-10(3)9-7(5)6(2)8/h4,6-7,9H,1-3H3
InChIKeyODMWJLMBNXCNRD-UHFFFAOYSA-N
XLogP1.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole?
The IUPAC name of 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole (CID 123389407) is 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole.
What is the SMILES notation for 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole?
The canonical SMILES for 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole is CC1=CN(C)NC1C(C)F.
What is the InChIKey of 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole?
The InChIKey is ODMWJLMBNXCNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-5-4-10(3)9-7(5)6(2)8/h4,6-7,9H,1-3H3.
What are the key properties of 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole?
5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole has a molecular weight of 144.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole is sourced from PubChem (CID 123389407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).