2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide

C8H13N5O2 — CID 62101706

IUPAC2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cn1ccc(N)n1)C(N)=O
InChIInChI=1S/C8H13N5O2/c1-5(8(10)15)11-7(14)4-13-3-2-6(9)12-13/h2-3,5H,4H2,1H3,(H2,9,12)(H2,10,15)(H,11,14)
InChIKeyOHYOUEZCOILSQQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.54
Rot. Bonds4

About 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide

2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide (PubChem CID 62101706) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
PubChem CID62101706
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cn1ccc(N)n1)C(N)=O
InChIInChI=1S/C8H13N5O2/c1-5(8(10)15)11-7(14)4-13-3-2-6(9)12-13/h2-3,5H,4H2,1H3,(H2,9,12)(H2,10,15)(H,11,14)
InChIKeyOHYOUEZCOILSQQ-UHFFFAOYSA-N
XLogP-1.54
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60783220
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
CID 62197855
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide
CID 114137891
2-(3-aminopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 62101552
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate
CID 55035689
N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709
2-(3-aminopyrazol-1-yl)-N-(3-phenylbutyl)acetamide
CID 62986610
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide?
The IUPAC name of 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide (CID 62101706) is 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide?
The canonical SMILES for 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide is CC(NC(=O)Cn1ccc(N)n1)C(N)=O.
What is the InChIKey of 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide?
The InChIKey is OHYOUEZCOILSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5(8(10)15)11-7(14)4-13-3-2-6(9)12-13/h2-3,5H,4H2,1H3,(H2,9,12)(H2,10,15)(H,11,14).
What are the key properties of 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide?
2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide has a molecular weight of 211.22 g/mol, XLogP of -1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 62101706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).