N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide

C13H21ClN4O2 — CID 91836936

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESCC(CN1CCOCC1)C(=O)NCCn1cc(Cl)cn1
InChIInChI=1S/C13H21ClN4O2/c1-11(9-17-4-6-20-7-5-17)13(19)15-2-3-18-10-12(14)8-16-18/h8,10-11H,2-7,9H2,1H3,(H,15,19)
InChIKeyHJVRCIOZFBPUJL-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.62
Rot. Bonds6

About N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide (PubChem CID 91836936) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
PubChem CID91836936
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESCC(CN1CCOCC1)C(=O)NCCn1cc(Cl)cn1
InChIInChI=1S/C13H21ClN4O2/c1-11(9-17-4-6-20-7-5-17)13(19)15-2-3-18-10-12(14)8-16-18/h8,10-11H,2-7,9H2,1H3,(H,15,19)
InChIKeyHJVRCIOZFBPUJL-UHFFFAOYSA-N
XLogP0.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide (CID 91836936) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide is CC(CN1CCOCC1)C(=O)NCCn1cc(Cl)cn1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
The InChIKey is HJVRCIOZFBPUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-11(9-17-4-6-20-7-5-17)13(19)15-2-3-18-10-12(14)8-16-18/h8,10-11H,2-7,9H2,1H3,(H,15,19).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide has a molecular weight of 300.79 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 91836936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).