2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate

C8H13N5O3 — CID 83202712

IUPAC2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
SMILESCc1[nH]nc(C(=O)NCCOC(N)=O)c1N
InChIInChI=1S/C8H13N5O3/c1-4-5(9)6(13-12-4)7(14)11-2-3-16-8(10)15/h2-3,9H2,1H3,(H2,10,15)(H,11,14)(H,12,13)
InChIKeyTXJHPEILORNWBR-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.87
Rot. Bonds4

About 2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate

2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate (PubChem CID 83202712) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
PubChem CID83202712
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
SMILESCc1[nH]nc(C(=O)NCCOC(N)=O)c1N
InChIInChI=1S/C8H13N5O3/c1-4-5(9)6(13-12-4)7(14)11-2-3-16-8(10)15/h2-3,9H2,1H3,(H2,10,15)(H,11,14)(H,12,13)
InChIKeyTXJHPEILORNWBR-UHFFFAOYSA-N
XLogP-0.87
TPSA136.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate (CID 83202712) is 2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate is Cc1[nH]nc(C(=O)NCCOC(N)=O)c1N.
What is the InChIKey of 2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate?
The InChIKey is TXJHPEILORNWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-4-5(9)6(13-12-4)7(14)11-2-3-16-8(10)15/h2-3,9H2,1H3,(H2,10,15)(H,11,14)(H,12,13).
What are the key properties of 2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate?
2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate has a molecular weight of 227.22 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83202712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).