1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide

C12H11Cl2N3O2 — CID 19270375

IUPAC1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O2/c1-15-12(18)10-4-5-17(16-10)7-19-11-3-2-8(13)6-9(11)14/h2-6H,7H2,1H3,(H,15,18)
InChIKeyMGOTVASAESOZCV-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.59
Rot. Bonds4

About 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide

1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19270375) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID19270375
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O2/c1-15-12(18)10-4-5-17(16-10)7-19-11-3-2-8(13)6-9(11)14/h2-6H,7H2,1H3,(H,15,18)
InChIKeyMGOTVASAESOZCV-UHFFFAOYSA-N
XLogP2.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017513
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
1-[(2-chloro-4-nitrophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19272698
4-[[1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19270269
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296859
N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270205
1-[(2,4-dichlorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19270392
ethyl 2-[[1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19270195
1-[(2,4-dichlorophenoxy)methyl]-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19270157
N-[2-(4-bromopyrazol-1-yl)ethyl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19282919
1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 7017684
1-[(4-bromo-2-chlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19274760

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide (CID 19270375) is 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is MGOTVASAESOZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-15-12(18)10-4-5-17(16-10)7-19-11-3-2-8(13)6-9(11)14/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 300.15 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19270375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).