1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H17ClFN3 — CID 110459079

IUPAC1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1c(Cl)cccc1-n1nc(-c2ccccc2F)c2c1CCNC2
InChIInChI=1S/C19H17ClFN3/c1-12-15(20)6-4-8-17(12)24-18-9-10-22-11-14(18)19(23-24)13-5-2-3-7-16(13)21/h2-8,22H,9-11H2,1H3
InChIKeyVEZDJHIOLCDZMI-UHFFFAOYSA-N
MW341.82 g/mol
LogP4.29
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110459079) has the molecular formula C19H17ClFN3 and a molecular weight of 341.82 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110459079
Molecular FormulaC19H17ClFN3
Molecular Weight341.82 g/mol
Exact Mass341.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1c(Cl)cccc1-n1nc(-c2ccccc2F)c2c1CCNC2
InChIInChI=1S/C19H17ClFN3/c1-12-15(20)6-4-8-17(12)24-18-9-10-22-11-14(18)19(23-24)13-5-2-3-7-16(13)21/h2-8,22H,9-11H2,1H3
InChIKeyVEZDJHIOLCDZMI-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110459079) is 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cc1c(Cl)cccc1-n1nc(-c2ccccc2F)c2c1CCNC2.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is VEZDJHIOLCDZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3/c1-12-15(20)6-4-8-17(12)24-18-9-10-22-11-14(18)19(23-24)13-5-2-3-7-16(13)21/h2-8,22H,9-11H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 341.82 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110459079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).