2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide

C13H24N4O2 — CID 81419518

IUPAC2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide
SMILESCCC(CC)(CO)CNc1cnn(CC(=O)NC)c1
InChIInChI=1S/C13H24N4O2/c1-4-13(5-2,10-18)9-15-11-6-16-17(7-11)8-12(19)14-3/h6-7,15,18H,4-5,8-10H2,1-3H3,(H,14,19)
InChIKeySHKAMSBHBIRZQT-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.84
Rot. Bonds8

About 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide

2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 81419518) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide
PubChem CID81419518
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide
SMILESCCC(CC)(CO)CNc1cnn(CC(=O)NC)c1
InChIInChI=1S/C13H24N4O2/c1-4-13(5-2,10-18)9-15-11-6-16-17(7-11)8-12(19)14-3/h6-7,15,18H,4-5,8-10H2,1-3H3,(H,14,19)
InChIKeySHKAMSBHBIRZQT-UHFFFAOYSA-N
XLogP0.84
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide (CID 81419518) is 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide is CCC(CC)(CO)CNc1cnn(CC(=O)NC)c1.
What is the InChIKey of 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is SHKAMSBHBIRZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-13(5-2,10-18)9-15-11-6-16-17(7-11)8-12(19)14-3/h6-7,15,18H,4-5,8-10H2,1-3H3,(H,14,19).
What are the key properties of 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 268.36 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 81419518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).