3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C16H16F5N3 — CID 25284704

IUPAC3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3c2CN(CCCC(F)(F)F)CC3)cc1F
InChIInChI=1S/C16H16F5N3/c17-12-3-2-10(8-13(12)18)15-11-9-24(6-1-5-16(19,20)21)7-4-14(11)22-23-15/h2-3,8H,1,4-7,9H2,(H,22,23)
InChIKeyDACUKDSULPKSEJ-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.06
Rot. Bonds4

About 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 25284704) has the molecular formula C16H16F5N3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID25284704
Molecular FormulaC16H16F5N3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3c2CN(CCCC(F)(F)F)CC3)cc1F
InChIInChI=1S/C16H16F5N3/c17-12-3-2-10(8-13(12)18)15-11-9-24(6-1-5-16(19,20)21)7-4-14(11)22-23-15/h2-3,8H,1,4-7,9H2,(H,22,23)
InChIKeyDACUKDSULPKSEJ-UHFFFAOYSA-N
XLogP4.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 25284704) is 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Fc1ccc(-c2n[nH]c3c2CN(CCCC(F)(F)F)CC3)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is DACUKDSULPKSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F5N3/c17-12-3-2-10(8-13(12)18)15-11-9-24(6-1-5-16(19,20)21)7-4-14(11)22-23-15/h2-3,8H,1,4-7,9H2,(H,22,23).
What are the key properties of 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 345.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 25284704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).