4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C10H16FN3 — CID 171531391

IUPAC4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCC(C)c1c2c(nn1C)CNCC2F
InChIInChI=1S/C10H16FN3/c1-6(2)10-9-7(11)4-12-5-8(9)13-14(10)3/h6-7,12H,4-5H2,1-3H3
InChIKeyFLRPTEHKXKSXEF-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.66
Rot. Bonds1

About 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 171531391) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID171531391
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCC(C)c1c2c(nn1C)CNCC2F
InChIInChI=1S/C10H16FN3/c1-6(2)10-9-7(11)4-12-5-8(9)13-14(10)3/h6-7,12H,4-5H2,1-3H3
InChIKeyFLRPTEHKXKSXEF-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 171531391) is 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is CC(C)c1c2c(nn1C)CNCC2F.
What is the InChIKey of 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is FLRPTEHKXKSXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-6(2)10-9-7(11)4-12-5-8(9)13-14(10)3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 197.26 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 171531391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).