3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide

C10H9F2N5O — CID 45255885

IUPAC3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccnnc2)c(C(F)F)n1
InChIInChI=1S/C10H9F2N5O/c1-17-5-7(8(16-17)9(11)12)10(18)15-6-2-3-13-14-4-6/h2-5,9H,1H3,(H,13,15,18)
InChIKeyIDACZTKXGQAZED-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.40
Rot. Bonds3

About 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 45255885) has the molecular formula C10H9F2N5O and a molecular weight of 253.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID45255885
Molecular FormulaC10H9F2N5O
Molecular Weight253.21 g/mol
Exact Mass253.08
IUPAC Name3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccnnc2)c(C(F)F)n1
InChIInChI=1S/C10H9F2N5O/c1-17-5-7(8(16-17)9(11)12)10(18)15-6-2-3-13-14-4-6/h2-5,9H,1H3,(H,13,15,18)
InChIKeyIDACZTKXGQAZED-UHFFFAOYSA-N
XLogP1.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 45255885) is 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccnnc2)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is IDACZTKXGQAZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5O/c1-17-5-7(8(16-17)9(11)12)10(18)15-6-2-3-13-14-4-6/h2-5,9H,1H3,(H,13,15,18).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 253.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 45255885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).