3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine

C7H9F2N3 — CID 84732000

IUPAC3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESFC(F)c1n[nH]c2c1CCNC2
InChIInChI=1S/C7H9F2N3/c8-7(9)6-4-1-2-10-3-5(4)11-12-6/h7,10H,1-3H2,(H,11,12)
InChIKeySHFJDAFPGJLBJE-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.99
Rot. Bonds1

About 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine

3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (PubChem CID 84732000) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
PubChem CID84732000
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESFC(F)c1n[nH]c2c1CCNC2
InChIInChI=1S/C7H9F2N3/c8-7(9)6-4-1-2-10-3-5(4)11-12-6/h7,10H,1-3H2,(H,11,12)
InChIKeySHFJDAFPGJLBJE-UHFFFAOYSA-N
XLogP0.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (CID 84732000) is 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is FC(F)c1n[nH]c2c1CCNC2.
What is the InChIKey of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The InChIKey is SHFJDAFPGJLBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c8-7(9)6-4-1-2-10-3-5(4)11-12-6/h7,10H,1-3H2,(H,11,12).
What are the key properties of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine has a molecular weight of 173.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 84732000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).