5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C14H10F2N6O — CID 45256976

IUPAC5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1cnn(-c2ccccn2)c1C(F)F
InChIInChI=1S/C14H10F2N6O/c15-13(16)12-10(14(23)21-9-4-6-18-19-7-9)8-20-22(12)11-3-1-2-5-17-11/h1-8,13H,(H,18,21,23)
InChIKeyMKDUKXDMBKHCIK-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.25
Rot. Bonds4

About 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide

5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 45256976) has the molecular formula C14H10F2N6O and a molecular weight of 316.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID45256976
Molecular FormulaC14H10F2N6O
Molecular Weight316.27 g/mol
Exact Mass316.09
IUPAC Name5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1cnn(-c2ccccn2)c1C(F)F
InChIInChI=1S/C14H10F2N6O/c15-13(16)12-10(14(23)21-9-4-6-18-19-7-9)8-20-22(12)11-3-1-2-5-17-11/h1-8,13H,(H,18,21,23)
InChIKeyMKDUKXDMBKHCIK-UHFFFAOYSA-N
XLogP2.25
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 45256976) is 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide is O=C(Nc1ccnnc1)c1cnn(-c2ccccn2)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is MKDUKXDMBKHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N6O/c15-13(16)12-10(14(23)21-9-4-6-18-19-7-9)8-20-22(12)11-3-1-2-5-17-11/h1-8,13H,(H,18,21,23).
What are the key properties of 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 316.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 45256976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).