3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide

C14H16ClN3O — CID 82700552

IUPAC3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide
SMILESCCc1cc(CC)n(-c2ccc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-10-8-11(4-2)18(17-10)13-6-5-9(14(16)19)7-12(13)15/h5-8H,3-4H2,1-2H3,(H2,16,19)
InChIKeyQNOVHAFWXBYDEZ-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.75
Rot. Bonds4

About 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide

3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide (PubChem CID 82700552) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide
PubChem CID82700552
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide
SMILESCCc1cc(CC)n(-c2ccc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-10-8-11(4-2)18(17-10)13-6-5-9(14(16)19)7-12(13)15/h5-8H,3-4H2,1-2H3,(H2,16,19)
InChIKeyQNOVHAFWXBYDEZ-UHFFFAOYSA-N
XLogP2.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid
CID 82694333
5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide
CID 107197152
5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82693817
6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxamide
CID 82699978
5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole
CID 66021764
(3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-3-chlorobenzoate
CID 82787475
4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82694324
5-bromo-2-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 114896077
1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473
4-(3,5-diethylpyrazol-1-yl)-3-methylaniline
CID 45095734
4-chloro-N-[4-(3,5-diethylpyrazol-1-yl)-3-nitrophenyl]benzamide
CID 46189283
3-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 82695411

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide?
The IUPAC name of 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide (CID 82700552) is 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide.
What is the SMILES notation for 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide?
The canonical SMILES for 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide is CCc1cc(CC)n(-c2ccc(C(N)=O)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide?
The InChIKey is QNOVHAFWXBYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-10-8-11(4-2)18(17-10)13-6-5-9(14(16)19)7-12(13)15/h5-8H,3-4H2,1-2H3,(H2,16,19).
What are the key properties of 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide?
3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide has a molecular weight of 277.76 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 82700552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).