N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide

C14H26N4O2 — CID 47613485

IUPACN-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide
SMILESCc1nn(CCO)c(C)c1CNCC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-10-12(11(2)18(17-10)6-7-19)8-15-9-13(20)16-14(3,4)5/h15,19H,6-9H2,1-5H3,(H,16,20)
InChIKeyPDUFABSVGXICPR-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.50
Rot. Bonds6

About N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide

N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide (PubChem CID 47613485) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide
PubChem CID47613485
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide
SMILESCc1nn(CCO)c(C)c1CNCC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-10-12(11(2)18(17-10)6-7-19)8-15-9-13(20)16-14(3,4)5/h15,19H,6-9H2,1-5H3,(H,16,20)
InChIKeyPDUFABSVGXICPR-UHFFFAOYSA-N
XLogP0.50
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide (CID 47613485) is N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide is Cc1nn(CCO)c(C)c1CNCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide?
The InChIKey is PDUFABSVGXICPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10-12(11(2)18(17-10)6-7-19)8-15-9-13(20)16-14(3,4)5/h15,19H,6-9H2,1-5H3,(H,16,20).
What are the key properties of N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide?
N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide has a molecular weight of 282.39 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide is sourced from PubChem (CID 47613485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).