1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide

C13H13Cl2N3O3 — CID 19269884

IUPAC1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESO=C(NCCO)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O3/c14-9-2-1-3-10(15)12(9)21-8-18-6-4-11(17-18)13(20)16-5-7-19/h1-4,6,19H,5,7-8H2,(H,16,20)
InChIKeyUGTIOGJSGSAZQC-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.95
Rot. Bonds6

About 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide

1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 19269884) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID19269884
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC Name1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESO=C(NCCO)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O3/c14-9-2-1-3-10(15)12(9)21-8-18-6-4-11(17-18)13(20)16-5-7-19/h1-4,6,19H,5,7-8H2,(H,16,20)
InChIKeyUGTIOGJSGSAZQC-UHFFFAOYSA-N
XLogP1.95
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 19269839
1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920
N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4867173
1-[(2,6-dichlorophenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19269906
1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
CID 35326325
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19326112
1-[(2,6-dichlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393542
1-[(2,6-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269950
1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581774
1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
CID 35529448
N-(1-benzylpyrazol-4-yl)-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19397518
1-[(2-chlorophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide
CID 19265104

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide (CID 19269884) is 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide is O=C(NCCO)c1ccn(COc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is UGTIOGJSGSAZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c14-9-2-1-3-10(15)12(9)21-8-18-6-4-11(17-18)13(20)16-5-7-19/h1-4,6,19H,5,7-8H2,(H,16,20).
What are the key properties of 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 330.17 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19269884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).