pyrazol-1-ylcarbamoylcarbamic acid

C5H6N4O3 — CID 89456803

IUPACpyrazol-1-ylcarbamoylcarbamic acid
SMILESO=C(O)NC(=O)Nn1cccn1
InChIInChI=1S/C5H6N4O3/c10-4(7-5(11)12)8-9-3-1-2-6-9/h1-3H,(H,11,12)(H2,7,8,10)
InChIKeyJGGPCFQPAAFELD-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.19
Rot. Bonds1

About pyrazol-1-ylcarbamoylcarbamic acid

pyrazol-1-ylcarbamoylcarbamic acid (PubChem CID 89456803) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is pyrazol-1-ylcarbamoylcarbamic acid.

Molecular Properties

Compound Namepyrazol-1-ylcarbamoylcarbamic acid
PubChem CID89456803
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Namepyrazol-1-ylcarbamoylcarbamic acid
SMILESO=C(O)NC(=O)Nn1cccn1
InChIInChI=1S/C5H6N4O3/c10-4(7-5(11)12)8-9-3-1-2-6-9/h1-3H,(H,11,12)(H2,7,8,10)
InChIKeyJGGPCFQPAAFELD-UHFFFAOYSA-N
XLogP-0.19
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ylcarbamoylcarbamic acid?
The IUPAC name of pyrazol-1-ylcarbamoylcarbamic acid (CID 89456803) is pyrazol-1-ylcarbamoylcarbamic acid.
What is the SMILES notation for pyrazol-1-ylcarbamoylcarbamic acid?
The canonical SMILES for pyrazol-1-ylcarbamoylcarbamic acid is O=C(O)NC(=O)Nn1cccn1.
What is the InChIKey of pyrazol-1-ylcarbamoylcarbamic acid?
The InChIKey is JGGPCFQPAAFELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c10-4(7-5(11)12)8-9-3-1-2-6-9/h1-3H,(H,11,12)(H2,7,8,10).
What are the key properties of pyrazol-1-ylcarbamoylcarbamic acid?
pyrazol-1-ylcarbamoylcarbamic acid has a molecular weight of 170.13 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ylcarbamoylcarbamic acid is sourced from PubChem (CID 89456803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).