1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

C13H11F6N5O — CID 89157296

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccnnc2)cnn1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F6N5O/c1-7-9(10(25)23(2)8-3-4-20-21-5-8)6-22-24(7)11(12(14,15)16)13(17,18)19/h3-6,11H,1-2H3
InChIKeyOZXOGYFIOSVFOC-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.92
Rot. Bonds3

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 89157296) has the molecular formula C13H11F6N5O and a molecular weight of 367.25 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID89157296
Molecular FormulaC13H11F6N5O
Molecular Weight367.25 g/mol
Exact Mass367.09
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccnnc2)cnn1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F6N5O/c1-7-9(10(25)23(2)8-3-4-20-21-5-8)6-22-24(7)11(12(14,15)16)13(17,18)19/h3-6,11H,1-2H3
InChIKeyOZXOGYFIOSVFOC-UHFFFAOYSA-N
XLogP2.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 89157296) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)c2ccnnc2)cnn1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is OZXOGYFIOSVFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N5O/c1-7-9(10(25)23(2)8-3-4-20-21-5-8)6-22-24(7)11(12(14,15)16)13(17,18)19/h3-6,11H,1-2H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 367.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 89157296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).