4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine

C14H10ClF3N4 — CID 118335321

IUPAC4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
SMILESNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C14H10ClF3N4/c15-10-5-20-6-11-12(10)13(19)21-22(11)7-8-1-3-9(4-2-8)14(16,17)18/h1-6H,7H2,(H2,19,21)
InChIKeyWWBZNICXGOBHKO-UHFFFAOYSA-N
MW326.71 g/mol
LogP3.73
Rot. Bonds2

About 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine

4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine (PubChem CID 118335321) has the molecular formula C14H10ClF3N4 and a molecular weight of 326.71 g/mol. Its IUPAC name is 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
PubChem CID118335321
Molecular FormulaC14H10ClF3N4
Molecular Weight326.71 g/mol
Exact Mass326.05
IUPAC Name4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
SMILESNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C14H10ClF3N4/c15-10-5-20-6-11-12(10)13(19)21-22(11)7-8-1-3-9(4-2-8)14(16,17)18/h1-6H,7H2,(H2,19,21)
InChIKeyWWBZNICXGOBHKO-UHFFFAOYSA-N
XLogP3.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
The IUPAC name of 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine (CID 118335321) is 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine.
What is the SMILES notation for 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
The canonical SMILES for 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine is Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.
What is the InChIKey of 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
The InChIKey is WWBZNICXGOBHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4/c15-10-5-20-6-11-12(10)13(19)21-22(11)7-8-1-3-9(4-2-8)14(16,17)18/h1-6H,7H2,(H2,19,21).
What are the key properties of 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine has a molecular weight of 326.71 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine is sourced from PubChem (CID 118335321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).