2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate

C9H15N5O3 — CID 83202536

IUPAC2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
SMILESCCn1ncc(N)c1C(=O)NCCOC(N)=O
InChIInChI=1S/C9H15N5O3/c1-2-14-7(6(10)5-13-14)8(15)12-3-4-17-9(11)16/h5H,2-4,10H2,1H3,(H2,11,16)(H,12,15)
InChIKeyGOGBDSUVJOROIT-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.69
Rot. Bonds5

About 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate

2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate (PubChem CID 83202536) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
PubChem CID83202536
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
SMILESCCn1ncc(N)c1C(=O)NCCOC(N)=O
InChIInChI=1S/C9H15N5O3/c1-2-14-7(6(10)5-13-14)8(15)12-3-4-17-9(11)16/h5H,2-4,10H2,1H3,(H2,11,16)(H,12,15)
InChIKeyGOGBDSUVJOROIT-UHFFFAOYSA-N
XLogP-0.69
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.69
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate (CID 83202536) is 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate is CCn1ncc(N)c1C(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate?
The InChIKey is GOGBDSUVJOROIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-2-14-7(6(10)5-13-14)8(15)12-3-4-17-9(11)16/h5H,2-4,10H2,1H3,(H2,11,16)(H,12,15).
What are the key properties of 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate?
2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate has a molecular weight of 241.25 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83202536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).