3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide

C17H16F3N5O — CID 2820393

IUPAC3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide
SMILESCc1cc(NNC(=O)c2cccc(C(F)(F)F)c2)nc2c1c(C)nn2C
InChIInChI=1S/C17H16F3N5O/c1-9-7-13(21-15-14(9)10(2)24-25(15)3)22-23-16(26)11-5-4-6-12(8-11)17(18,19)20/h4-8H,1-3H3,(H,21,22)(H,23,26)
InChIKeyDOQCHXCTTMJXCS-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.36
Rot. Bonds3

About 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide

3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide (PubChem CID 2820393) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide
PubChem CID2820393
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide
SMILESCc1cc(NNC(=O)c2cccc(C(F)(F)F)c2)nc2c1c(C)nn2C
InChIInChI=1S/C17H16F3N5O/c1-9-7-13(21-15-14(9)10(2)24-25(15)3)22-23-16(26)11-5-4-6-12(8-11)17(18,19)20/h4-8H,1-3H3,(H,21,22)(H,23,26)
InChIKeyDOQCHXCTTMJXCS-UHFFFAOYSA-N
XLogP3.36
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide?
The IUPAC name of 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide (CID 2820393) is 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide.
What is the SMILES notation for 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide?
The canonical SMILES for 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide is Cc1cc(NNC(=O)c2cccc(C(F)(F)F)c2)nc2c1c(C)nn2C.
What is the InChIKey of 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide?
The InChIKey is DOQCHXCTTMJXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-9-7-13(21-15-14(9)10(2)24-25(15)3)22-23-16(26)11-5-4-6-12(8-11)17(18,19)20/h4-8H,1-3H3,(H,21,22)(H,23,26).
What are the key properties of 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide?
3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide has a molecular weight of 363.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide is sourced from PubChem (CID 2820393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).