1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide

C14H15Cl2N3O2 — CID 19269922

IUPAC1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O2/c1-9(2)17-14(20)12-6-7-19(18-12)8-21-13-10(15)4-3-5-11(13)16/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyDNFJWWYVYNXLLB-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.36
Rot. Bonds5

About 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide

1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 19269922) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID19269922
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O2/c1-9(2)17-14(20)12-6-7-19(18-12)8-21-13-10(15)4-3-5-11(13)16/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyDNFJWWYVYNXLLB-UHFFFAOYSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
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
3-(2-Chlorophenylcarbamoyl)-1H-pyrazole-1-carboxylic acid 4-chlorophenyl ester
CID 69633023
methyl 1-[(2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylate
CID 671228
{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
1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 7017297
N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19265186
1-[(2-chlorophenoxy)methyl]-N,N-dimethylpyrazole-3-carboxamide
CID 35528857
N-tert-butyl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 35529635
1-[(2,6-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide
CID 39854432

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide (CID 19269922) is 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide is CC(C)NC(=O)c1ccn(COc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is DNFJWWYVYNXLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-9(2)17-14(20)12-6-7-19(18-12)8-21-13-10(15)4-3-5-11(13)16/h3-7,9H,8H2,1-2H3,(H,17,20).
What are the key properties of 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide?
1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 328.20 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 19269922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).