5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C19H16ClF3N4 — CID 1477084

IUPAC5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(-n2cc3c(n2)CCN(c2ncc(C(F)(F)F)cc2Cl)C3)cc1
InChIInChI=1S/C19H16ClF3N4/c1-12-2-4-15(5-3-12)27-11-13-10-26(7-6-17(13)25-27)18-16(20)8-14(9-24-18)19(21,22)23/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyPEHWNDMUKOELFB-UHFFFAOYSA-N
MW392.81 g/mol
LogP4.81
Rot. Bonds2

About 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 1477084) has the molecular formula C19H16ClF3N4 and a molecular weight of 392.81 g/mol. Its IUPAC name is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID1477084
Molecular FormulaC19H16ClF3N4
Molecular Weight392.81 g/mol
Exact Mass392.10
IUPAC Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(-n2cc3c(n2)CCN(c2ncc(C(F)(F)F)cc2Cl)C3)cc1
InChIInChI=1S/C19H16ClF3N4/c1-12-2-4-15(5-3-12)27-11-13-10-26(7-6-17(13)25-27)18-16(20)8-14(9-24-18)19(21,22)23/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyPEHWNDMUKOELFB-UHFFFAOYSA-N
XLogP4.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 1477084) is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1ccc(-n2cc3c(n2)CCN(c2ncc(C(F)(F)F)cc2Cl)C3)cc1.
What is the InChIKey of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is PEHWNDMUKOELFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4/c1-12-2-4-15(5-3-12)27-11-13-10-26(7-6-17(13)25-27)18-16(20)8-14(9-24-18)19(21,22)23/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 392.81 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 1477084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).