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

C7H12N4O2 — CID 130670198

IUPAC1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea
SMILESCNC(=O)Nc1cn(C)nc1OC
InChIInChI=1S/C7H12N4O2/c1-8-7(12)9-5-4-11(2)10-6(5)13-3/h4H,1-3H3,(H2,8,9,12)
InChIKeyDKQBKGPHGABKSE-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.18
Rot. Bonds2

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

1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea (PubChem CID 130670198) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea.

Molecular Properties

Compound Name1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea
PubChem CID130670198
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea
SMILESCNC(=O)Nc1cn(C)nc1OC
InChIInChI=1S/C7H12N4O2/c1-8-7(12)9-5-4-11(2)10-6(5)13-3/h4H,1-3H3,(H2,8,9,12)
InChIKeyDKQBKGPHGABKSE-UHFFFAOYSA-N
XLogP0.18
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea?
The IUPAC name of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea (CID 130670198) is 1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea.
What is the SMILES notation for 1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea?
The canonical SMILES for 1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea is CNC(=O)Nc1cn(C)nc1OC.
What is the InChIKey of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea?
The InChIKey is DKQBKGPHGABKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-8-7(12)9-5-4-11(2)10-6(5)13-3/h4H,1-3H3,(H2,8,9,12).
What are the key properties of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea?
1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea has a molecular weight of 184.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-methylpyrazol-4-yl)-3-methylurea is sourced from PubChem (CID 130670198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).