4,5-dihydro-1H-pyrazol-3-ylurea

C4H8N4O — CID 67370012

IUPAC4,5-dihydro-1H-pyrazol-3-ylurea
SMILESNC(=O)NC1=NNCC1
InChIInChI=1S/C4H8N4O/c5-4(9)7-3-1-2-6-8-3/h6H,1-2H2,(H3,5,7,8,9)
InChIKeyLGRAHSFRTOITOM-UHFFFAOYSA-N
MW128.14 g/mol
LogP-1.04
Rot. Bonds

About 4,5-dihydro-1H-pyrazol-3-ylurea

4,5-dihydro-1H-pyrazol-3-ylurea (PubChem CID 67370012) has the molecular formula C4H8N4O and a molecular weight of 128.14 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrazol-3-ylurea.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrazol-3-ylurea
PubChem CID67370012
Molecular FormulaC4H8N4O
Molecular Weight128.14 g/mol
Exact Mass128.07
IUPAC Name4,5-dihydro-1H-pyrazol-3-ylurea
SMILESNC(=O)NC1=NNCC1
InChIInChI=1S/C4H8N4O/c5-4(9)7-3-1-2-6-8-3/h6H,1-2H2,(H3,5,7,8,9)
InChIKeyLGRAHSFRTOITOM-UHFFFAOYSA-N
XLogP-1.04
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.14
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrazol-3-ylurea?
The IUPAC name of 4,5-dihydro-1H-pyrazol-3-ylurea (CID 67370012) is 4,5-dihydro-1H-pyrazol-3-ylurea.
What is the SMILES notation for 4,5-dihydro-1H-pyrazol-3-ylurea?
The canonical SMILES for 4,5-dihydro-1H-pyrazol-3-ylurea is NC(=O)NC1=NNCC1.
What is the InChIKey of 4,5-dihydro-1H-pyrazol-3-ylurea?
The InChIKey is LGRAHSFRTOITOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-4(9)7-3-1-2-6-8-3/h6H,1-2H2,(H3,5,7,8,9).
What are the key properties of 4,5-dihydro-1H-pyrazol-3-ylurea?
4,5-dihydro-1H-pyrazol-3-ylurea has a molecular weight of 128.14 g/mol, XLogP of -1.04, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrazol-3-ylurea is sourced from PubChem (CID 67370012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).