(4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine

C8H12FN3 — CID 171531668

IUPAC(4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2c1[C@@H](F)CN(C)C2
InChIInChI=1S/C8H12FN3/c1-5-8-6(9)3-12(2)4-7(8)11-10-5/h6H,3-4H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyWEKCRAOGZYXUGP-LURJTMIESA-N
MW169.20 g/mol
LogP1.17
Rot. Bonds

About (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine

(4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 171531668) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name(4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID171531668
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name(4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2c1[C@@H](F)CN(C)C2
InChIInChI=1S/C8H12FN3/c1-5-8-6(9)3-12(2)4-7(8)11-10-5/h6H,3-4H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyWEKCRAOGZYXUGP-LURJTMIESA-N
XLogP1.17
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (CID 171531668) is (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is Cc1[nH]nc2c1[C@@H](F)CN(C)C2.
What is the InChIKey of (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is WEKCRAOGZYXUGP-LURJTMIESA-N. The full InChI is InChI=1S/C8H12FN3/c1-5-8-6(9)3-12(2)4-7(8)11-10-5/h6H,3-4H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
(4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 169.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-3,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 171531668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).