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

C14H16ClN3O — CID 35525667

IUPAC3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cc(C)n(CCNC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-10-8-11(2)18(17-10)7-6-16-14(19)12-4-3-5-13(15)9-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)
InChIKeyHGWWHZHMAQTJER-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.58
Rot. Bonds4

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

3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide (PubChem CID 35525667) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
PubChem CID35525667
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cc(C)n(CCNC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-10-8-11(2)18(17-10)7-6-16-14(19)12-4-3-5-13(15)9-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)
InChIKeyHGWWHZHMAQTJER-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

3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19293636
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-[(3-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293748
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
(3-chlorophenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907382
3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide (CID 35525667) is 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide is Cc1cc(C)n(CCNC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is HGWWHZHMAQTJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-8-11(2)18(17-10)7-6-16-14(19)12-4-3-5-13(15)9-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,19).
What are the key properties of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
3-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 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 35525667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).