N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide

C13H21ClN4O2 — CID 56900021

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESCc1nn(CCNC(=O)CC2COCCN2)c(C)c1Cl
InChIInChI=1S/C13H21ClN4O2/c1-9-13(14)10(2)18(17-9)5-3-16-12(19)7-11-8-20-6-4-15-11/h11,15H,3-8H2,1-2H3,(H,16,19)
InChIKeyVBEULHBJICBKEP-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.65
Rot. Bonds5

About N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide (PubChem CID 56900021) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide
PubChem CID56900021
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESCc1nn(CCNC(=O)CC2COCCN2)c(C)c1Cl
InChIInChI=1S/C13H21ClN4O2/c1-9-13(14)10(2)18(17-9)5-3-16-12(19)7-11-8-20-6-4-15-11/h11,15H,3-8H2,1-2H3,(H,16,19)
InChIKeyVBEULHBJICBKEP-UHFFFAOYSA-N
XLogP0.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide (CID 56900021) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide is Cc1nn(CCNC(=O)CC2COCCN2)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide?
The InChIKey is VBEULHBJICBKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-9-13(14)10(2)18(17-9)5-3-16-12(19)7-11-8-20-6-4-15-11/h11,15H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide has a molecular weight of 300.79 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56900021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).