[1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine

C14H11F3N4 — CID 168830408

IUPAC[1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine
SMILESNCc1nn(-c2ccc(C(F)(F)F)cc2)c2cnccc12
InChIInChI=1S/C14H11F3N4/c15-14(16,17)9-1-3-10(4-2-9)21-13-8-19-6-5-11(13)12(7-18)20-21/h1-6,8H,7,18H2
InChIKeyGHDKYWCCRZVDSA-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.90
Rot. Bonds2

About [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine

[1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine (PubChem CID 168830408) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine
PubChem CID168830408
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name[1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine
SMILESNCc1nn(-c2ccc(C(F)(F)F)cc2)c2cnccc12
InChIInChI=1S/C14H11F3N4/c15-14(16,17)9-1-3-10(4-2-9)21-13-8-19-6-5-11(13)12(7-18)20-21/h1-6,8H,7,18H2
InChIKeyGHDKYWCCRZVDSA-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine?
The IUPAC name of [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine (CID 168830408) is [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine?
The canonical SMILES for [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine is NCc1nn(-c2ccc(C(F)(F)F)cc2)c2cnccc12.
What is the InChIKey of [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine?
The InChIKey is GHDKYWCCRZVDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)9-1-3-10(4-2-9)21-13-8-19-6-5-11(13)12(7-18)20-21/h1-6,8H,7,18H2.
What are the key properties of [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine?
[1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine has a molecular weight of 292.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine is sourced from PubChem (CID 168830408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).