N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide

C14H16ClN3O — CID 19283527

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCn2cc(Cl)cn2)cc1C
InChIInChI=1S/C14H16ClN3O/c1-10-3-4-12(7-11(10)2)14(19)16-5-6-18-9-13(15)8-17-18/h3-4,7-9H,5-6H2,1-2H3,(H,16,19)
InChIKeyOZMJMGVEJGFXAL-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide (PubChem CID 19283527) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
PubChem CID19283527
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCn2cc(Cl)cn2)cc1C
InChIInChI=1S/C14H16ClN3O/c1-10-3-4-12(7-11(10)2)14(19)16-5-6-18-9-13(15)8-17-18/h3-4,7-9H,5-6H2,1-2H3,(H,16,19)
InChIKeyOZMJMGVEJGFXAL-UHFFFAOYSA-N
XLogP2.58
TPSA46.92 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281829
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 19283384
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19283421
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19283405
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102
N-[3-(4-chloropyrazol-1-yl)propyl]-4-methoxy-3-nitrobenzamide
CID 19330272
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide
CID 19283361

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide (CID 19283527) is N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCn2cc(Cl)cn2)cc1C.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide?
The InChIKey is OZMJMGVEJGFXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-3-4-12(7-11(10)2)14(19)16-5-6-18-9-13(15)8-17-18/h3-4,7-9H,5-6H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide has a molecular weight of 277.76 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 19283527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).