(3-oxo-1H-pyrazol-2-yl)urea

C4H6N4O2 — CID 69442375

IUPAC(3-oxo-1H-pyrazol-2-yl)urea
SMILESNC(=O)Nn1[nH]ccc1=O
InChIInChI=1S/C4H6N4O2/c5-4(10)7-8-3(9)1-2-6-8/h1-2,6H,(H3,5,7,10)
InChIKeyCQILMVMNUHENSJ-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.20
Rot. Bonds1

About (3-oxo-1H-pyrazol-2-yl)urea

(3-oxo-1H-pyrazol-2-yl)urea (PubChem CID 69442375) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is (3-oxo-1H-pyrazol-2-yl)urea.

Molecular Properties

Compound Name(3-oxo-1H-pyrazol-2-yl)urea
PubChem CID69442375
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name(3-oxo-1H-pyrazol-2-yl)urea
SMILESNC(=O)Nn1[nH]ccc1=O
InChIInChI=1S/C4H6N4O2/c5-4(10)7-8-3(9)1-2-6-8/h1-2,6H,(H3,5,7,10)
InChIKeyCQILMVMNUHENSJ-UHFFFAOYSA-N
XLogP-1.20
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-1H-pyrazol-2-yl)urea?
The IUPAC name of (3-oxo-1H-pyrazol-2-yl)urea (CID 69442375) is (3-oxo-1H-pyrazol-2-yl)urea.
What is the SMILES notation for (3-oxo-1H-pyrazol-2-yl)urea?
The canonical SMILES for (3-oxo-1H-pyrazol-2-yl)urea is NC(=O)Nn1[nH]ccc1=O.
What is the InChIKey of (3-oxo-1H-pyrazol-2-yl)urea?
The InChIKey is CQILMVMNUHENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-4(10)7-8-3(9)1-2-6-8/h1-2,6H,(H3,5,7,10).
What are the key properties of (3-oxo-1H-pyrazol-2-yl)urea?
(3-oxo-1H-pyrazol-2-yl)urea has a molecular weight of 142.12 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1H-pyrazol-2-yl)urea is sourced from PubChem (CID 69442375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).