4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine

C14H9ClF3N3 — CID 141188120

IUPAC4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine
SMILESCc1cc2n[nH]c(C(F)(F)F)c2c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H9ClF3N3/c1-7-5-10-11(13(21-20-10)14(16,17)18)12(19-7)8-3-2-4-9(15)6-8/h2-6H,1H3,(H,20,21)
InChIKeyCFJDOVLRMNBEDR-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.61
Rot. Bonds1

About 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine

4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine (PubChem CID 141188120) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine
PubChem CID141188120
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine
SMILESCc1cc2n[nH]c(C(F)(F)F)c2c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H9ClF3N3/c1-7-5-10-11(13(21-20-10)14(16,17)18)12(19-7)8-3-2-4-9(15)6-8/h2-6H,1H3,(H,20,21)
InChIKeyCFJDOVLRMNBEDR-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine (CID 141188120) is 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine is Cc1cc2n[nH]c(C(F)(F)F)c2c(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is CFJDOVLRMNBEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c1-7-5-10-11(13(21-20-10)14(16,17)18)12(19-7)8-3-2-4-9(15)6-8/h2-6H,1H3,(H,20,21).
What are the key properties of 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine?
4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 311.69 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-methyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 141188120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).