2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide

C8H14N4O2 — CID 93081118

IUPAC2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C8H14N4O2/c1-6(5-13)11-8(14)4-12-3-7(9)2-10-12/h2-3,6,13H,4-5,9H2,1H3,(H,11,14)/t6-/m1/s1
InChIKeyWTSCDZBZBGWYHT-ZCFIWIBFSA-N
MW198.23 g/mol
LogP-1.04
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide

2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide (PubChem CID 93081118) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
PubChem CID93081118
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C8H14N4O2/c1-6(5-13)11-8(14)4-12-3-7(9)2-10-12/h2-3,6,13H,4-5,9H2,1H3,(H,11,14)/t6-/m1/s1
InChIKeyWTSCDZBZBGWYHT-ZCFIWIBFSA-N
XLogP-1.04
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide (CID 93081118) is 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide is C[C@H](CO)NC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is WTSCDZBZBGWYHT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6(5-13)11-8(14)4-12-3-7(9)2-10-12/h2-3,6,13H,4-5,9H2,1H3,(H,11,14)/t6-/m1/s1.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 198.23 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 93081118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).