2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C12H11Cl2N3O — CID 103856631

IUPAC2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(Cl)cccc1Cl)c1cn[nH]c1
InChIInChI=1S/C12H11Cl2N3O/c1-7(8-5-15-16-6-8)17-12(18)11-9(13)3-2-4-10(11)14/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeySHZANLHRCYFEGF-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.21
Rot. Bonds3

About 2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 103856631) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID103856631
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(Cl)cccc1Cl)c1cn[nH]c1
InChIInChI=1S/C12H11Cl2N3O/c1-7(8-5-15-16-6-8)17-12(18)11-9(13)3-2-4-10(11)14/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeySHZANLHRCYFEGF-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856239
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103856316
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 103856743
3-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856378
N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103856027

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 103856631) is 2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1c(Cl)cccc1Cl)c1cn[nH]c1.
What is the InChIKey of 2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is SHZANLHRCYFEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7(8-5-15-16-6-8)17-12(18)11-9(13)3-2-4-10(11)14/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 284.15 g/mol, XLogP of 3.21, 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-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103856631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).