2-(5-formamidopyrazol-1-yl)ethyl carbamate

C7H10N4O3 — CID 19763342

IUPAC2-(5-formamidopyrazol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1nccc1NC=O
InChIInChI=1S/C7H10N4O3/c8-7(13)14-4-3-11-6(9-5-12)1-2-10-11/h1-2,5H,3-4H2,(H2,8,13)(H,9,12)
InChIKeyMMXUMXLIFKMIGZ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.45
Rot. Bonds5

About 2-(5-formamidopyrazol-1-yl)ethyl carbamate

2-(5-formamidopyrazol-1-yl)ethyl carbamate (PubChem CID 19763342) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(5-formamidopyrazol-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(5-formamidopyrazol-1-yl)ethyl carbamate
PubChem CID19763342
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-(5-formamidopyrazol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1nccc1NC=O
InChIInChI=1S/C7H10N4O3/c8-7(13)14-4-3-11-6(9-5-12)1-2-10-11/h1-2,5H,3-4H2,(H2,8,13)(H,9,12)
InChIKeyMMXUMXLIFKMIGZ-UHFFFAOYSA-N
XLogP-0.45
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-formamidopyrazol-1-yl)ethyl carbamate?
The IUPAC name of 2-(5-formamidopyrazol-1-yl)ethyl carbamate (CID 19763342) is 2-(5-formamidopyrazol-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(5-formamidopyrazol-1-yl)ethyl carbamate?
The canonical SMILES for 2-(5-formamidopyrazol-1-yl)ethyl carbamate is NC(=O)OCCn1nccc1NC=O.
What is the InChIKey of 2-(5-formamidopyrazol-1-yl)ethyl carbamate?
The InChIKey is MMXUMXLIFKMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-7(13)14-4-3-11-6(9-5-12)1-2-10-11/h1-2,5H,3-4H2,(H2,8,13)(H,9,12).
What are the key properties of 2-(5-formamidopyrazol-1-yl)ethyl carbamate?
2-(5-formamidopyrazol-1-yl)ethyl carbamate has a molecular weight of 198.18 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formamidopyrazol-1-yl)ethyl carbamate is sourced from PubChem (CID 19763342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).