4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine

C10H16FN3 — CID 171531547

IUPAC4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCC(C)c1n[nH]c2c1C(F)CN(C)C2
InChIInChI=1S/C10H16FN3/c1-6(2)10-9-7(11)4-14(3)5-8(9)12-13-10/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyOUDCWVUWJYMOLB-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.99
Rot. Bonds1

About 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine

4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 171531547) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID171531547
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCC(C)c1n[nH]c2c1C(F)CN(C)C2
InChIInChI=1S/C10H16FN3/c1-6(2)10-9-7(11)4-14(3)5-8(9)12-13-10/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyOUDCWVUWJYMOLB-UHFFFAOYSA-N
XLogP1.99
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (CID 171531547) is 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is CC(C)c1n[nH]c2c1C(F)CN(C)C2.
What is the InChIKey of 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is OUDCWVUWJYMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-6(2)10-9-7(11)4-14(3)5-8(9)12-13-10/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 197.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 171531547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).