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

C15H17Cl2N3O2 — CID 39854581

IUPAC1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H17Cl2N3O2/c1-3-19(4-2)15(21)12-8-9-20(18-12)10-22-13-7-5-6-11(16)14(13)17/h5-9H,3-4,10H2,1-2H3
InChIKeyRGDUXUFHGMPTEP-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.71
Rot. Bonds6

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

1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide (PubChem CID 39854581) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide
PubChem CID39854581
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H17Cl2N3O2/c1-3-19(4-2)15(21)12-8-9-20(18-12)10-22-13-7-5-6-11(16)14(13)17/h5-9H,3-4,10H2,1-2H3
InChIKeyRGDUXUFHGMPTEP-UHFFFAOYSA-N
XLogP3.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 47084046
1-[(2-Chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4773972
methyl 1-[(2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylate
CID 671228
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(thiomorpholin-4-yl)methanone
CID 4776307
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(morpholin-4-yl)methanone
CID 4776382
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(pyrrolidin-1-yl)methanone
CID 4863056
N-tert-butyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4865147
N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4867070
N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19265186
1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19269922
[1-[(4-Fluorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 35326018
1-[(2-chlorophenoxy)methyl]-N,N-dimethylpyrazole-3-carboxamide
CID 35528857

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide?
The IUPAC name of 1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide (CID 39854581) is 1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide is CCN(CC)C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide?
The InChIKey is RGDUXUFHGMPTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-3-19(4-2)15(21)12-8-9-20(18-12)10-22-13-7-5-6-11(16)14(13)17/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide?
1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide is sourced from PubChem (CID 39854581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).