3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

C14H11F3N4 — CID 59619116

IUPAC3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(Nc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C14H11F3N4/c1-8-12-11(21-20-8)6-7-18-13(12)19-10-4-2-9(3-5-10)14(15,16)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyYAYABQYUGCRRDT-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.03
Rot. Bonds2

About 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 59619116) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID59619116
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(Nc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C14H11F3N4/c1-8-12-11(21-20-8)6-7-18-13(12)19-10-4-2-9(3-5-10)14(15,16)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyYAYABQYUGCRRDT-UHFFFAOYSA-N
XLogP4.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 59619116) is 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is Cc1[nH]nc2ccnc(Nc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is YAYABQYUGCRRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-8-12-11(21-20-8)6-7-18-13(12)19-10-4-2-9(3-5-10)14(15,16)17/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 292.26 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 59619116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).