N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide

C9H16N4O2 — CID 135138720

IUPACN-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide
SMILESCC(=O)NC[C@@H](O)[C@H](N)Cn1cccn1
InChIInChI=1S/C9H16N4O2/c1-7(14)11-5-9(15)8(10)6-13-4-2-3-12-13/h2-4,8-9,15H,5-6,10H2,1H3,(H,11,14)/t8-,9-/m1/s1
InChIKeyUEDSYNLBLVGOFC-RKDXNWHRSA-N
MW212.25 g/mol
LogP-1.29
Rot. Bonds5

About N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide

N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide (PubChem CID 135138720) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide
PubChem CID135138720
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide
SMILESCC(=O)NC[C@@H](O)[C@H](N)Cn1cccn1
InChIInChI=1S/C9H16N4O2/c1-7(14)11-5-9(15)8(10)6-13-4-2-3-12-13/h2-4,8-9,15H,5-6,10H2,1H3,(H,11,14)/t8-,9-/m1/s1
InChIKeyUEDSYNLBLVGOFC-RKDXNWHRSA-N
XLogP-1.29
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide?
The IUPAC name of N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide (CID 135138720) is N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide.
What is the SMILES notation for N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide?
The canonical SMILES for N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide is CC(=O)NC[C@@H](O)[C@H](N)Cn1cccn1.
What is the InChIKey of N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide?
The InChIKey is UEDSYNLBLVGOFC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(14)11-5-9(15)8(10)6-13-4-2-3-12-13/h2-4,8-9,15H,5-6,10H2,1H3,(H,11,14)/t8-,9-/m1/s1.
What are the key properties of N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide?
N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide has a molecular weight of 212.25 g/mol, XLogP of -1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide is sourced from PubChem (CID 135138720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).