N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide

C16H11F3N8O3 — CID 2809062

IUPACN'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCn1ncc2c(-n3ncc(C(=O)NNC(=O)c4ccco4)c3C(F)(F)F)ncnc21
InChIInChI=1S/C16H11F3N8O3/c1-26-12-9(6-22-26)13(21-7-20-12)27-11(16(17,18)19)8(5-23-27)14(28)24-25-15(29)10-3-2-4-30-10/h2-7H,1H3,(H,24,28)(H,25,29)
InChIKeyQBUYSRNWQLNPOU-UHFFFAOYSA-N
MW420.31 g/mol
LogP1.24
Rot. Bonds3

About N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide

N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 2809062) has the molecular formula C16H11F3N8O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID2809062
Molecular FormulaC16H11F3N8O3
Molecular Weight420.31 g/mol
Exact Mass420.09
IUPAC NameN'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCn1ncc2c(-n3ncc(C(=O)NNC(=O)c4ccco4)c3C(F)(F)F)ncnc21
InChIInChI=1S/C16H11F3N8O3/c1-26-12-9(6-22-26)13(21-7-20-12)27-11(16(17,18)19)8(5-23-27)14(28)24-25-15(29)10-3-2-4-30-10/h2-7H,1H3,(H,24,28)(H,25,29)
InChIKeyQBUYSRNWQLNPOU-UHFFFAOYSA-N
XLogP1.24
TPSA132.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 2809062) is N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide is Cn1ncc2c(-n3ncc(C(=O)NNC(=O)c4ccco4)c3C(F)(F)F)ncnc21.
What is the InChIKey of N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is QBUYSRNWQLNPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N8O3/c1-26-12-9(6-22-26)13(21-7-20-12)27-11(16(17,18)19)8(5-23-27)14(28)24-25-15(29)10-3-2-4-30-10/h2-7H,1H3,(H,24,28)(H,25,29).
What are the key properties of N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 420.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-carbonyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 2809062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).