(pyrazol-1-ylamino)urea

C4H7N5O — CID 141079323

IUPAC(pyrazol-1-ylamino)urea
SMILESNC(=O)NNn1cccn1
InChIInChI=1S/C4H7N5O/c5-4(10)7-8-9-3-1-2-6-9/h1-3,8H,(H3,5,7,10)
InChIKeyGEXKVARXHLGARJ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.99
Rot. Bonds2

About (pyrazol-1-ylamino)urea

(pyrazol-1-ylamino)urea (PubChem CID 141079323) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is (pyrazol-1-ylamino)urea.

Molecular Properties

Compound Name(pyrazol-1-ylamino)urea
PubChem CID141079323
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name(pyrazol-1-ylamino)urea
SMILESNC(=O)NNn1cccn1
InChIInChI=1S/C4H7N5O/c5-4(10)7-8-9-3-1-2-6-9/h1-3,8H,(H3,5,7,10)
InChIKeyGEXKVARXHLGARJ-UHFFFAOYSA-N
XLogP-0.99
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (pyrazol-1-ylamino)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (pyrazol-1-ylamino)urea?
The IUPAC name of (pyrazol-1-ylamino)urea (CID 141079323) is (pyrazol-1-ylamino)urea.
What is the SMILES notation for (pyrazol-1-ylamino)urea?
The canonical SMILES for (pyrazol-1-ylamino)urea is NC(=O)NNn1cccn1.
What is the InChIKey of (pyrazol-1-ylamino)urea?
The InChIKey is GEXKVARXHLGARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-4(10)7-8-9-3-1-2-6-9/h1-3,8H,(H3,5,7,10).
What are the key properties of (pyrazol-1-ylamino)urea?
(pyrazol-1-ylamino)urea has a molecular weight of 141.13 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (pyrazol-1-ylamino)urea is sourced from PubChem (CID 141079323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).