2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C13H22N4O2 — CID 19526449

IUPAC2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cnn(CC(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C13H22N4O2/c1-12-9-15-17(10-12)11-13(18)14-3-2-4-16-5-7-19-8-6-16/h9-10H,2-8,11H2,1H3,(H,14,18)
InChIKeyZJFWZXPRVRKOKH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.03
Rot. Bonds6

About 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 19526449) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID19526449
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cnn(CC(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C13H22N4O2/c1-12-9-15-17(10-12)11-13(18)14-3-2-4-16-5-7-19-8-6-16/h9-10H,2-8,11H2,1H3,(H,14,18)
InChIKeyZJFWZXPRVRKOKH-UHFFFAOYSA-N
XLogP0.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 54902131
2-(4-methylpyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 146126134
N-butyl-2-(4-methylpyrazol-1-yl)acetamide
CID 19526650
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60610794
N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516114
N-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 113238079
1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111806210
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19521841
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 2987188
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 19526449) is 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1cnn(CC(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is ZJFWZXPRVRKOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-12-9-15-17(10-12)11-13(18)14-3-2-4-16-5-7-19-8-6-16/h9-10H,2-8,11H2,1H3,(H,14,18).
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 19526449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).