3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide

C11H19ClN4O — CID 62128361

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(Cn1nc(C)c(Cl)c1C)C(N)=O
InChIInChI=1S/C11H19ClN4O/c1-5-14-11(4,10(13)17)6-16-8(3)9(12)7(2)15-16/h14H,5-6H2,1-4H3,(H2,13,17)
InChIKeyOHJBQGNJADQQLB-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.01
Rot. Bonds5

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 62128361) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide
PubChem CID62128361
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(Cn1nc(C)c(Cl)c1C)C(N)=O
InChIInChI=1S/C11H19ClN4O/c1-5-14-11(4,10(13)17)6-16-8(3)9(12)7(2)15-16/h14H,5-6H2,1-4H3,(H2,13,17)
InChIKeyOHJBQGNJADQQLB-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide (CID 62128361) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(Cn1nc(C)c(Cl)c1C)C(N)=O.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is OHJBQGNJADQQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-5-14-11(4,10(13)17)6-16-8(3)9(12)7(2)15-16/h14H,5-6H2,1-4H3,(H2,13,17).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 258.75 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62128361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).