3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

C16H18FN3 — CID 118561268

IUPAC3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESFc1ccc(Cn2nc(C3CC3)c3c2CNCC3)cc1
InChIInChI=1S/C16H18FN3/c17-13-5-1-11(2-6-13)10-20-15-9-18-8-7-14(15)16(19-20)12-3-4-12/h1-2,5-6,12,18H,3-4,7-10H2
InChIKeyPYIFNEWQWUBADH-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.59
Rot. Bonds3

About 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 118561268) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID118561268
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESFc1ccc(Cn2nc(C3CC3)c3c2CNCC3)cc1
InChIInChI=1S/C16H18FN3/c17-13-5-1-11(2-6-13)10-20-15-9-18-8-7-14(15)16(19-20)12-3-4-12/h1-2,5-6,12,18H,3-4,7-10H2
InChIKeyPYIFNEWQWUBADH-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (CID 118561268) is 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is Fc1ccc(Cn2nc(C3CC3)c3c2CNCC3)cc1.
What is the InChIKey of 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is PYIFNEWQWUBADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-13-5-1-11(2-6-13)10-20-15-9-18-8-7-14(15)16(19-20)12-3-4-12/h1-2,5-6,12,18H,3-4,7-10H2.
What are the key properties of 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 271.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118561268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).