N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide

C17H20F3N5O — CID 137465390

IUPACN'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide
SMILESCc1nn(C)c2c1CCC(NNC(=O)Cc1ccccc1C(F)(F)F)N2
InChIInChI=1S/C17H20F3N5O/c1-10-12-7-8-14(21-16(12)25(2)24-10)22-23-15(26)9-11-5-3-4-6-13(11)17(18,19)20/h3-6,14,21-22H,7-9H2,1-2H3,(H,23,26)
InChIKeyALTFYOFWHZHQDN-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.30
Rot. Bonds4

About N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide

N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 137465390) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID137465390
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC NameN'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide
SMILESCc1nn(C)c2c1CCC(NNC(=O)Cc1ccccc1C(F)(F)F)N2
InChIInChI=1S/C17H20F3N5O/c1-10-12-7-8-14(21-16(12)25(2)24-10)22-23-15(26)9-11-5-3-4-6-13(11)17(18,19)20/h3-6,14,21-22H,7-9H2,1-2H3,(H,23,26)
InChIKeyALTFYOFWHZHQDN-UHFFFAOYSA-N
XLogP2.30
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
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 N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide (CID 137465390) is N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide is Cc1nn(C)c2c1CCC(NNC(=O)Cc1ccccc1C(F)(F)F)N2.
What is the InChIKey of N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is ALTFYOFWHZHQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-10-12-7-8-14(21-16(12)25(2)24-10)22-23-15(26)9-11-5-3-4-6-13(11)17(18,19)20/h3-6,14,21-22H,7-9H2,1-2H3,(H,23,26).
What are the key properties of N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide?
N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 367.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 137465390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).