N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide

C11H20N4O2 — CID 97338499

IUPACN-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1ccc(N[C@@H](C)COC)n1
InChIInChI=1S/C11H20N4O2/c1-4-12-11(16)7-15-6-5-10(14-15)13-9(2)8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H,12,16)(H,13,14)/t9-/m0/s1
InChIKeyVDHVEIBYLKXVPU-VIFPVBQESA-N
MW240.31 g/mol
LogP0.47
Rot. Bonds7

About N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide

N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 97338499) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide
PubChem CID97338499
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1ccc(N[C@@H](C)COC)n1
InChIInChI=1S/C11H20N4O2/c1-4-12-11(16)7-15-6-5-10(14-15)13-9(2)8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H,12,16)(H,13,14)/t9-/m0/s1
InChIKeyVDHVEIBYLKXVPU-VIFPVBQESA-N
XLogP0.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide (CID 97338499) is N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide is CCNC(=O)Cn1ccc(N[C@@H](C)COC)n1.
What is the InChIKey of N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is VDHVEIBYLKXVPU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-12-11(16)7-15-6-5-10(14-15)13-9(2)8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H,12,16)(H,13,14)/t9-/m0/s1.
What are the key properties of N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide?
N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 240.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 97338499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).