2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide

C12H11Cl2N3O — CID 113433751

IUPAC2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1
InChIInChI=1S/C12H11Cl2N3O/c1-2-7-6-10(17-16-7)15-12(18)11-8(13)4-3-5-9(11)14/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyVDBHPQQORWRRIJ-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.53
Rot. Bonds3

About 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide

2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 113433751) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
PubChem CID113433751
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1
InChIInChI=1S/C12H11Cl2N3O/c1-2-7-6-10(17-16-7)15-12(18)11-8(13)4-3-5-9(11)14/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyVDBHPQQORWRRIJ-UHFFFAOYSA-N
XLogP3.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433320
N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
CID 47423222
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 47423483
1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620378
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616057
2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 47423250
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (CID 113433751) is 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is CCc1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1.
What is the InChIKey of 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is VDBHPQQORWRRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-2-7-6-10(17-16-7)15-12(18)11-8(13)4-3-5-9(11)14/h3-6H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 284.15 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 113433751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).