2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate

C8H13N5O3 — CID 83201957

IUPAC2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C8H13N5O3/c9-6-3-12-13(4-6)5-7(14)11-1-2-16-8(10)15/h3-4H,1-2,5,9H2,(H2,10,15)(H,11,14)
InChIKeyGNJCGCWBNDZGIL-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.32
Rot. Bonds5

About 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate

2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate (PubChem CID 83201957) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate
PubChem CID83201957
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C8H13N5O3/c9-6-3-12-13(4-6)5-7(14)11-1-2-16-8(10)15/h3-4H,1-2,5,9H2,(H2,10,15)(H,11,14)
InChIKeyGNJCGCWBNDZGIL-UHFFFAOYSA-N
XLogP-1.32
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 114162948
2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 114097514
2-(4-aminopyrazol-1-yl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 62843765
3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 61102926
tert-butyl N-[3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]propyl]carbamate
CID 114517811
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide
CID 114174718
2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63328749
2-(4-aminopyrazol-1-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104758227
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 43445345

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate (CID 83201957) is 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate is NC(=O)OCCNC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate?
The InChIKey is GNJCGCWBNDZGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c9-6-3-12-13(4-6)5-7(14)11-1-2-16-8(10)15/h3-4H,1-2,5,9H2,(H2,10,15)(H,11,14).
What are the key properties of 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate?
2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate has a molecular weight of 227.22 g/mol, XLogP of -1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate is sourced from PubChem (CID 83201957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).