4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole

C5H9FN2 — CID 166678110

IUPAC4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole
SMILESCC1=C(F)C(C)NN1
InChIInChI=1S/C5H9FN2/c1-3-5(6)4(2)8-7-3/h3,7-8H,1-2H3
InChIKeyOVHZXBVDDBVLDO-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.68
Rot. Bonds

About 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole

4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole (PubChem CID 166678110) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole
PubChem CID166678110
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole
SMILESCC1=C(F)C(C)NN1
InChIInChI=1S/C5H9FN2/c1-3-5(6)4(2)8-7-3/h3,7-8H,1-2H3
InChIKeyOVHZXBVDDBVLDO-UHFFFAOYSA-N
XLogP0.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole (CID 166678110) is 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole is CC1=C(F)C(C)NN1.
What is the InChIKey of 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole?
The InChIKey is OVHZXBVDDBVLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c1-3-5(6)4(2)8-7-3/h3,7-8H,1-2H3.
What are the key properties of 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole?
4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole has a molecular weight of 116.14 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 166678110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).