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

C15H12ClF3N4 — CID 118326017

IUPAC4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
SMILESCNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C15H12ClF3N4/c1-20-14-13-11(16)6-21-7-12(13)23(22-14)8-9-2-4-10(5-3-9)15(17,18)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyDESSEKNKODZTAA-UHFFFAOYSA-N
MW340.74 g/mol
LogP4.19
Rot. Bonds3

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

4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine (PubChem CID 118326017) has the molecular formula C15H12ClF3N4 and a molecular weight of 340.74 g/mol. Its IUPAC name is 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
PubChem CID118326017
Molecular FormulaC15H12ClF3N4
Molecular Weight340.74 g/mol
Exact Mass340.07
IUPAC Name4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
SMILESCNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C15H12ClF3N4/c1-20-14-13-11(16)6-21-7-12(13)23(22-14)8-9-2-4-10(5-3-9)15(17,18)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyDESSEKNKODZTAA-UHFFFAOYSA-N
XLogP4.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
The IUPAC name of 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine (CID 118326017) is 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine is CNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.
What is the InChIKey of 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
The InChIKey is DESSEKNKODZTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4/c1-20-14-13-11(16)6-21-7-12(13)23(22-14)8-9-2-4-10(5-3-9)15(17,18)19/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine has a molecular weight of 340.74 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine is sourced from PubChem (CID 118326017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).