5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C22H19ClFN5 — CID 70785708

IUPAC5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFc1ccc(-n2cc(CN3CCc4[nH]ncc4C3)c(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H19ClFN5/c23-20-4-2-1-3-19(20)22-16(13-28-10-9-21-15(12-28)11-25-26-21)14-29(27-22)18-7-5-17(24)6-8-18/h1-8,11,14H,9-10,12-13H2,(H,25,26)
InChIKeyLZZJFHWISHPJBE-UHFFFAOYSA-N
MW407.88 g/mol
LogP4.61
Rot. Bonds4

About 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 70785708) has the molecular formula C22H19ClFN5 and a molecular weight of 407.88 g/mol. Its IUPAC name is 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID70785708
Molecular FormulaC22H19ClFN5
Molecular Weight407.88 g/mol
Exact Mass407.13
IUPAC Name5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFc1ccc(-n2cc(CN3CCc4[nH]ncc4C3)c(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H19ClFN5/c23-20-4-2-1-3-19(20)22-16(13-28-10-9-21-15(12-28)11-25-26-21)14-29(27-22)18-7-5-17(24)6-8-18/h1-8,11,14H,9-10,12-13H2,(H,25,26)
InChIKeyLZZJFHWISHPJBE-UHFFFAOYSA-N
XLogP4.61
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 70785708) is 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is Fc1ccc(-n2cc(CN3CCc4[nH]ncc4C3)c(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is LZZJFHWISHPJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5/c23-20-4-2-1-3-19(20)22-16(13-28-10-9-21-15(12-28)11-25-26-21)14-29(27-22)18-7-5-17(24)6-8-18/h1-8,11,14H,9-10,12-13H2,(H,25,26).
What are the key properties of 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 407.88 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 70785708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).