1H-pyrazol-4-ylurea

C4H6N4O — CID 43540216

IUPAC1H-pyrazol-4-ylurea
SMILESNC(=O)Nc1cn[nH]c1
InChIInChI=1S/C4H6N4O/c5-4(9)8-3-1-6-7-2-3/h1-2H,(H,6,7)(H3,5,8,9)
InChIKeyMPTAJFMCTWDSIK-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.10
Rot. Bonds1

About 1H-pyrazol-4-ylurea

1H-pyrazol-4-ylurea (PubChem CID 43540216) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 1H-pyrazol-4-ylurea.

Molecular Properties

Compound Name1H-pyrazol-4-ylurea
PubChem CID43540216
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name1H-pyrazol-4-ylurea
SMILESNC(=O)Nc1cn[nH]c1
InChIInChI=1S/C4H6N4O/c5-4(9)8-3-1-6-7-2-3/h1-2H,(H,6,7)(H3,5,8,9)
InChIKeyMPTAJFMCTWDSIK-UHFFFAOYSA-N
XLogP-0.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-ylurea?
The IUPAC name of 1H-pyrazol-4-ylurea (CID 43540216) is 1H-pyrazol-4-ylurea.
What is the SMILES notation for 1H-pyrazol-4-ylurea?
The canonical SMILES for 1H-pyrazol-4-ylurea is NC(=O)Nc1cn[nH]c1.
What is the InChIKey of 1H-pyrazol-4-ylurea?
The InChIKey is MPTAJFMCTWDSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-4(9)8-3-1-6-7-2-3/h1-2H,(H,6,7)(H3,5,8,9).
What are the key properties of 1H-pyrazol-4-ylurea?
1H-pyrazol-4-ylurea has a molecular weight of 126.12 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-ylurea is sourced from PubChem (CID 43540216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).