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

C14H16ClN3O — CID 7444942

IUPAC2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cc(C)n(CCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-10-9-11(2)18(17-10)8-7-16-14(19)12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyJTYRPMLQTSBRTP-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.58
Rot. Bonds4

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

2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide (PubChem CID 7444942) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
PubChem CID7444942
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cc(C)n(CCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-10-9-11(2)18(17-10)8-7-16-14(19)12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyJTYRPMLQTSBRTP-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 ≤ 500277.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
2-chloro-N-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 30954815
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536102
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 110121943
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxy-1-methyl-6-oxopyridine-3-carboxamide
CID 121016938
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide (CID 7444942) is 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide is Cc1cc(C)n(CCNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is JTYRPMLQTSBRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-9-11(2)18(17-10)8-7-16-14(19)12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 277.75 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 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 7444942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).