(1-methylpyrazol-4-yl)urea

C5H8N4O — CID 43430603

IUPAC(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(N)=O)cn1
InChIInChI=1S/C5H8N4O/c1-9-3-4(2-7-9)8-5(6)10/h2-3H,1H3,(H3,6,8,10)
InChIKeyNNAYHKROBBARLJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.09
Rot. Bonds1

About (1-methylpyrazol-4-yl)urea

(1-methylpyrazol-4-yl)urea (PubChem CID 43430603) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)urea
PubChem CID43430603
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(N)=O)cn1
InChIInChI=1S/C5H8N4O/c1-9-3-4(2-7-9)8-5(6)10/h2-3H,1H3,(H3,6,8,10)
InChIKeyNNAYHKROBBARLJ-UHFFFAOYSA-N
XLogP-0.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)urea?
The IUPAC name of (1-methylpyrazol-4-yl)urea (CID 43430603) is (1-methylpyrazol-4-yl)urea.
What is the SMILES notation for (1-methylpyrazol-4-yl)urea?
The canonical SMILES for (1-methylpyrazol-4-yl)urea is Cn1cc(NC(N)=O)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)urea?
The InChIKey is NNAYHKROBBARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9-3-4(2-7-9)8-5(6)10/h2-3H,1H3,(H3,6,8,10).
What are the key properties of (1-methylpyrazol-4-yl)urea?
(1-methylpyrazol-4-yl)urea has a molecular weight of 140.15 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 43430603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).