1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride

C11H11ClF2N4O2 — CID 152627984

IUPAC1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride
SMILESCc1c(-n2ncc(C(=O)Cl)c2C)nn(C)c1OC(F)F
InChIInChI=1S/C11H11ClF2N4O2/c1-5-9(16-17(3)10(5)20-11(13)14)18-6(2)7(4-15-18)8(12)19/h4,11H,1-3H3
InChIKeyZCXKYNYTQDBTLG-UHFFFAOYSA-N
MW304.68 g/mol
LogP2.20
Rot. Bonds4

About 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride

1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride (PubChem CID 152627984) has the molecular formula C11H11ClF2N4O2 and a molecular weight of 304.68 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride
PubChem CID152627984
Molecular FormulaC11H11ClF2N4O2
Molecular Weight304.68 g/mol
Exact Mass304.05
IUPAC Name1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride
SMILESCc1c(-n2ncc(C(=O)Cl)c2C)nn(C)c1OC(F)F
InChIInChI=1S/C11H11ClF2N4O2/c1-5-9(16-17(3)10(5)20-11(13)14)18-6(2)7(4-15-18)8(12)19/h4,11H,1-3H3
InChIKeyZCXKYNYTQDBTLG-UHFFFAOYSA-N
XLogP2.20
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.68
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzoyl chloride
CID 15346389
1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
CID 2776128
1-(4-carbamoylphenyl)-5-methylpyrazole-4-carbonyl chloride
CID 121003901
1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid
CID 23201644
(E)-3-[1-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-cyanopyrazol-5-yl]prop-2-enoic acid
CID 22107630
4-chloro-5-(difluoromethoxy)-1-methyl-3-(4-nitropyrazol-1-yl)pyrazole
CID 56619478
5-methyl-1-(5-propyl-2-pyridinyl)pyrazole-4-carbonyl chloride
CID 121004321
5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl chloride
CID 137128054
2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide
CID 21254039
2-chloro-3-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]prop-2-enoate
CID 152757147
2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]ethanethioic S-acid
CID 151453287
propan-2-yl 5-[4-bromo-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-chloro-4-fluorobenzoate
CID 139886173

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride?
The IUPAC name of 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride (CID 152627984) is 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride.
What is the SMILES notation for 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride?
The canonical SMILES for 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride is Cc1c(-n2ncc(C(=O)Cl)c2C)nn(C)c1OC(F)F.
What is the InChIKey of 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride?
The InChIKey is ZCXKYNYTQDBTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O2/c1-5-9(16-17(3)10(5)20-11(13)14)18-6(2)7(4-15-18)8(12)19/h4,11H,1-3H3.
What are the key properties of 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride?
1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride has a molecular weight of 304.68 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride is sourced from PubChem (CID 152627984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).