pyrazol-1-ylurea

C4H6N4O — CID 19911942

IUPACpyrazol-1-ylurea
SMILESNC(=O)Nn1cccn1
InChIInChI=1S/C4H6N4O/c5-4(9)7-8-3-1-2-6-8/h1-3H,(H3,5,7,9)
InChIKeyLCXHGYDKTPUJPT-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.49
Rot. Bonds1

About pyrazol-1-ylurea

pyrazol-1-ylurea (PubChem CID 19911942) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is pyrazol-1-ylurea.

Molecular Properties

Compound Namepyrazol-1-ylurea
PubChem CID19911942
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Namepyrazol-1-ylurea
SMILESNC(=O)Nn1cccn1
InChIInChI=1S/C4H6N4O/c5-4(9)7-8-3-1-2-6-8/h1-3H,(H3,5,7,9)
InChIKeyLCXHGYDKTPUJPT-UHFFFAOYSA-N
XLogP-0.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazol-1-ylcarbamic acid
CID 21327343
N-pyrazol-1-ylpropanamide
CID 68996776
Pyrazole-semicarbazide
CID 141079323
2,2,2-trifluoro-N-pyrazol-1-ylacetamide
CID 87551020
N-1H-pyrazol-1-ylformamide
CID 638906
N-methylaminopyrazole
CID 14572871
N-1H-Pyrazol-1-ylacetamide
CID 21586934
1-Pyrazol-1-yl-1-sulfanylurea
CID 91368354
5-Aminopyrazole-1-carbamic acid
CID 170458350
Pyrazolyl carbohydrazide
CID 177860730
2-Pyrazol-1-ylguanidine
CID 19108548
carbamothioic S-acid;1H-pyrazole
CID 19839465

Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ylurea?
The IUPAC name of pyrazol-1-ylurea (CID 19911942) is pyrazol-1-ylurea.
What is the SMILES notation for pyrazol-1-ylurea?
The canonical SMILES for pyrazol-1-ylurea is NC(=O)Nn1cccn1.
What is the InChIKey of pyrazol-1-ylurea?
The InChIKey is LCXHGYDKTPUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-4(9)7-8-3-1-2-6-8/h1-3H,(H3,5,7,9).
What are the key properties of pyrazol-1-ylurea?
pyrazol-1-ylurea has a molecular weight of 126.12 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ylurea is sourced from PubChem (CID 19911942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).