3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide

C11H20N4O2 — CID 114163943

IUPAC3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H20N4O2/c1-3-11(4-2,7-16)6-13-10(17)8-5-9(12)15-14-8/h5,16H,3-4,6-7H2,1-2H3,(H,13,17)(H3,12,14,15)
InChIKeyYUICNEMEOUDVKB-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.52
Rot. Bonds6

About 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide

3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide (PubChem CID 114163943) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
PubChem CID114163943
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H20N4O2/c1-3-11(4-2,7-16)6-13-10(17)8-5-9(12)15-14-8/h5,16H,3-4,6-7H2,1-2H3,(H,13,17)(H3,12,14,15)
InChIKeyYUICNEMEOUDVKB-UHFFFAOYSA-N
XLogP0.52
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide (CID 114163943) is 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide is CCC(CC)(CO)CNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YUICNEMEOUDVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-11(4-2,7-16)6-13-10(17)8-5-9(12)15-14-8/h5,16H,3-4,6-7H2,1-2H3,(H,13,17)(H3,12,14,15).
What are the key properties of 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114163943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).