3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide

C14H14ClN3O2 — CID 745024

IUPAC3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
SMILESCc1cc(C)n(C(=O)CNC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20)
InChIKeyZHNZROFLIBUAAU-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.22
Rot. Bonds3

About 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide

3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide (PubChem CID 745024) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
PubChem CID745024
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
SMILESCc1cc(C)n(C(=O)CNC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20)
InChIKeyZHNZROFLIBUAAU-UHFFFAOYSA-N
XLogP2.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44224133
Cathepsin inhibitor 1
CID 44224135
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CID 2747052
N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
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4-chloro-N-(4-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1231799
4-chloro-1-((4-chlorophenyl)carbonyl)-3,5-dimethyl-1H-pyrazole
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CID 44224129
Dipeptidyl nitrile inhibitor, 24
CID 44224134
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
1-(4-chloro-2,3-difluorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 2211769
1-(4-Chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 5163692
(Z)-1-(4-chlorophenyl)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one
CID 6517721

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide (CID 745024) is 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide is Cc1cc(C)n(C(=O)CNC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide?
The InChIKey is ZHNZROFLIBUAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20).
What are the key properties of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide?
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide has a molecular weight of 291.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 745024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).