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

C19H19F3N4 — CID 46912838

IUPACN-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESFC(F)(F)c1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1
InChIInChI=1S/C19H19F3N4/c20-19(21,22)13-8-6-12(7-9-13)17-16-15(25-26-17)10-11-23-18(16)24-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,23,24)(H,25,26)
InChIKeyYBJKBRWLUXBLSX-UHFFFAOYSA-N
MW360.38 g/mol
LogP5.39
Rot. Bonds3

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

N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 46912838) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID46912838
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC NameN-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESFC(F)(F)c1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1
InChIInChI=1S/C19H19F3N4/c20-19(21,22)13-8-6-12(7-9-13)17-16-15(25-26-17)10-11-23-18(16)24-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,23,24)(H,25,26)
InChIKeyYBJKBRWLUXBLSX-UHFFFAOYSA-N
XLogP5.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine (CID 46912838) is N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine is FC(F)(F)c1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1.
What is the InChIKey of N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is YBJKBRWLUXBLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c20-19(21,22)13-8-6-12(7-9-13)17-16-15(25-26-17)10-11-23-18(16)24-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,23,24)(H,25,26).
What are the key properties of N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine?
N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 360.38 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 46912838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).