2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide

C17H22ClN3O — CID 55925267

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nc(C)c(Cl)c1C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H22ClN3O/c1-6-20(15-8-11(2)7-12(3)9-15)16(22)10-21-14(5)17(18)13(4)19-21/h7-9H,6,10H2,1-5H3
InChIKeyQIQPFZWBLNNVJA-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide (PubChem CID 55925267) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide
PubChem CID55925267
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nc(C)c(Cl)c1C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H22ClN3O/c1-6-20(15-8-11(2)7-12(3)9-15)16(22)10-21-14(5)17(18)13(4)19-21/h7-9H,6,10H2,1-5H3
InChIKeyQIQPFZWBLNNVJA-UHFFFAOYSA-N
XLogP3.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide (CID 55925267) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide is CCN(C(=O)Cn1nc(C)c(Cl)c1C)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide?
The InChIKey is QIQPFZWBLNNVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-6-20(15-8-11(2)7-12(3)9-15)16(22)10-21-14(5)17(18)13(4)19-21/h7-9H,6,10H2,1-5H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide has a molecular weight of 319.84 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide is sourced from PubChem (CID 55925267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).