3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

C11H11F2N5O — CID 45255889

IUPAC3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)nc1C(F)F)c1ccnnc1
InChIInChI=1S/C11H11F2N5O/c1-17-6-8(9(16-17)10(12)13)11(19)18(2)7-3-4-14-15-5-7/h3-6,10H,1-2H3
InChIKeyKWCJUOBBCXKLDR-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.42
Rot. Bonds3

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

3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 45255889) has the molecular formula C11H11F2N5O and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID45255889
Molecular FormulaC11H11F2N5O
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)nc1C(F)F)c1ccnnc1
InChIInChI=1S/C11H11F2N5O/c1-17-6-8(9(16-17)10(12)13)11(19)18(2)7-3-4-14-15-5-7/h3-6,10H,1-2H3
InChIKeyKWCJUOBBCXKLDR-UHFFFAOYSA-N
XLogP1.42
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dimpropyridaz
CID 89968867
5-methyl-1-(3-methylbutan-2-yl)-N-(pyridazin-4-yl)-1H-pyrazole-4-carboxamide
CID 168450425
pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 164631806
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(triazol-1-yl)piperidin-1-yl]methanone
CID 164639164
5-Methyl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole-4-carboxylic acid pyridazin-4-ylamide
CID 45255296
1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45255301
5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 45255883
N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 58270481
N,1-dimethyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59606951
3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 59606981
N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 59606992
N-methyl-1-propan-2-yl-N-pyridin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 59606993

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 45255889) is 3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is CN(C(=O)c1cn(C)nc1C(F)F)c1ccnnc1.
What is the InChIKey of 3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is KWCJUOBBCXKLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O/c1-17-6-8(9(16-17)10(12)13)11(19)18(2)7-3-4-14-15-5-7/h3-6,10H,1-2H3.
What are the key properties of 3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 267.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 45255889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).