(3-methoxy-1-methylpyrazol-4-yl)urea

C6H10N4O2 — CID 130668245

IUPAC(3-methoxy-1-methylpyrazol-4-yl)urea
SMILESCOc1nn(C)cc1NC(N)=O
InChIInChI=1S/C6H10N4O2/c1-10-3-4(8-6(7)11)5(9-10)12-2/h3H,1-2H3,(H3,7,8,11)
InChIKeyAFYCBUGXPSKNGO-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.08
Rot. Bonds2

About (3-methoxy-1-methylpyrazol-4-yl)urea

(3-methoxy-1-methylpyrazol-4-yl)urea (PubChem CID 130668245) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)urea
PubChem CID130668245
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)urea
SMILESCOc1nn(C)cc1NC(N)=O
InChIInChI=1S/C6H10N4O2/c1-10-3-4(8-6(7)11)5(9-10)12-2/h3H,1-2H3,(H3,7,8,11)
InChIKeyAFYCBUGXPSKNGO-UHFFFAOYSA-N
XLogP-0.08
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)urea?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)urea (CID 130668245) is (3-methoxy-1-methylpyrazol-4-yl)urea.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)urea?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)urea is COc1nn(C)cc1NC(N)=O.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)urea?
The InChIKey is AFYCBUGXPSKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-10-3-4(8-6(7)11)5(9-10)12-2/h3H,1-2H3,(H3,7,8,11).
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)urea?
(3-methoxy-1-methylpyrazol-4-yl)urea has a molecular weight of 170.17 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 130668245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).