3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole

C14H16FN3 — CID 138510386

IUPAC3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
SMILESCc1cc(-c2cnn3c2CC(C)(C)C3)c(F)cn1
InChIInChI=1S/C14H16FN3/c1-9-4-10(12(15)7-16-9)11-6-17-18-8-14(2,3)5-13(11)18/h4,6-7H,5,8H2,1-3H3
InChIKeyFIHYDBAXLUSOQW-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.97
Rot. Bonds1

About 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole

3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole (PubChem CID 138510386) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
PubChem CID138510386
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
SMILESCc1cc(-c2cnn3c2CC(C)(C)C3)c(F)cn1
InChIInChI=1S/C14H16FN3/c1-9-4-10(12(15)7-16-9)11-6-17-18-8-14(2,3)5-13(11)18/h4,6-7H,5,8H2,1-3H3
InChIKeyFIHYDBAXLUSOQW-UHFFFAOYSA-N
XLogP2.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole?
The IUPAC name of 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole (CID 138510386) is 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole?
The canonical SMILES for 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole is Cc1cc(-c2cnn3c2CC(C)(C)C3)c(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole?
The InChIKey is FIHYDBAXLUSOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-4-10(12(15)7-16-9)11-6-17-18-8-14(2,3)5-13(11)18/h4,6-7H,5,8H2,1-3H3.
What are the key properties of 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole?
3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole has a molecular weight of 245.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methyl-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 138510386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).