3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

C11H10ClF2N5O — CID 59606981

IUPAC3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)nc1C(F)(F)Cl)c1ccnnc1
InChIInChI=1S/C11H10ClF2N5O/c1-18-6-8(9(17-18)11(12,13)14)10(20)19(2)7-3-4-15-16-5-7/h3-6H,1-2H3
InChIKeyRHGMXUIHESIJCF-UHFFFAOYSA-N
MW301.68 g/mol
LogP1.77
Rot. Bonds3

About 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 59606981) has the molecular formula C11H10ClF2N5O and a molecular weight of 301.68 g/mol. Its IUPAC name is 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID59606981
Molecular FormulaC11H10ClF2N5O
Molecular Weight301.68 g/mol
Exact Mass301.05
IUPAC Name3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)nc1C(F)(F)Cl)c1ccnnc1
InChIInChI=1S/C11H10ClF2N5O/c1-18-6-8(9(17-18)11(12,13)14)10(20)19(2)7-3-4-15-16-5-7/h3-6H,1-2H3
InChIKeyRHGMXUIHESIJCF-UHFFFAOYSA-N
XLogP1.77
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.68
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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
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
3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255889
N,1-dimethyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59606951
3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 59607008
N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 59607023
5-methyl-1-(2,2,2-trifluoro-1-trifluoromethyl-ethyl)-1H-pyrazole-4-carboxylic acid pyridazin-4-ylamide
CID 89157052
N,5-dimethyl-N-pyridazin-4-yl-1-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]pyrazole-4-carboxamide
CID 89157296
1-(1,1-difluoropropan-2-yl)-N-ethyl-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 89968871

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 59606981) is 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is CN(C(=O)c1cn(C)nc1C(F)(F)Cl)c1ccnnc1.
What is the InChIKey of 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is RHGMXUIHESIJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N5O/c1-18-6-8(9(17-18)11(12,13)14)10(20)19(2)7-3-4-15-16-5-7/h3-6H,1-2H3.
What are the key properties of 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 301.68 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 59606981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).