2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide

C15H26N4O3 — CID 121368092

IUPAC2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide
SMILESCn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1CN1CCOCC1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)14(21)16-9-11-12(18(4)17-13(11)20)10-19-5-7-22-8-6-19/h5-10H2,1-4H3,(H,16,21)(H,17,20)
InChIKeyMNXIVAKIJFTMQK-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.21
Rot. Bonds4

About 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide

2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide (PubChem CID 121368092) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide
PubChem CID121368092
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide
SMILESCn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1CN1CCOCC1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)14(21)16-9-11-12(18(4)17-13(11)20)10-19-5-7-22-8-6-19/h5-10H2,1-4H3,(H,16,21)(H,17,20)
InChIKeyMNXIVAKIJFTMQK-UHFFFAOYSA-N
XLogP0.21
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide (CID 121368092) is 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide is Cn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1CN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide?
The InChIKey is MNXIVAKIJFTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)14(21)16-9-11-12(18(4)17-13(11)20)10-19-5-7-22-8-6-19/h5-10H2,1-4H3,(H,16,21)(H,17,20).
What are the key properties of 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide?
2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide has a molecular weight of 310.40 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 121368092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).