2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

C11H17ClN4O2 — CID 19525059

IUPAC2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)NCCN1CCOCC1
InChIInChI=1S/C11H17ClN4O2/c12-10-7-14-16(8-10)9-11(17)13-1-2-15-3-5-18-6-4-15/h7-8H,1-6,9H2,(H,13,17)
InChIKeyRUZSCFDEFVCTNA-UHFFFAOYSA-N
MW272.74 g/mol
LogP-0.02
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 19525059) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID19525059
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)NCCN1CCOCC1
InChIInChI=1S/C11H17ClN4O2/c12-10-7-14-16(8-10)9-11(17)13-1-2-15-3-5-18-6-4-15/h7-8H,1-6,9H2,(H,13,17)
InChIKeyRUZSCFDEFVCTNA-UHFFFAOYSA-N
XLogP-0.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 19525059) is 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is O=C(Cn1cc(Cl)cn1)NCCN1CCOCC1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is RUZSCFDEFVCTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c12-10-7-14-16(8-10)9-11(17)13-1-2-15-3-5-18-6-4-15/h7-8H,1-6,9H2,(H,13,17).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 272.74 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 19525059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).