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

C16H20FN3 — CID 82586985

IUPAC3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(C)c1nn(-c2ccc(F)cc2)c2c1CNCC2
InChIInChI=1S/C16H20FN3/c1-16(2,3)15-13-10-18-9-8-14(13)20(19-15)12-6-4-11(17)5-7-12/h4-7,18H,8-10H2,1-3H3
InChIKeyUIXODBCQBLJYJM-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.95
Rot. Bonds1

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

3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82586985) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82586985
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(C)c1nn(-c2ccc(F)cc2)c2c1CNCC2
InChIInChI=1S/C16H20FN3/c1-16(2,3)15-13-10-18-9-8-14(13)20(19-15)12-6-4-11(17)5-7-12/h4-7,18H,8-10H2,1-3H3
InChIKeyUIXODBCQBLJYJM-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587007
2-[4-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile
CID 82587023
1-(3-bromophenyl)-3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458962
3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-4-chlorobenzoic acid
CID 110458961
1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586524
3-tert-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458959
3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588103
3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458971
4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588594
1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587041
1-(2,4-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586496
(3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone
CID 24953722

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82586985) is 3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1CNCC2.
What is the InChIKey of 3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is UIXODBCQBLJYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-16(2,3)15-13-10-18-9-8-14(13)20(19-15)12-6-4-11(17)5-7-12/h4-7,18H,8-10H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 273.35 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82586985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).