1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea

C12H20N4O2 — CID 71808640

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C12H20N4O2/c1-16-11(9-3-4-9)7-10(15-16)8-14-12(17)13-5-6-18-2/h7,9H,3-6,8H2,1-2H3,(H2,13,14,17)
InChIKeyVXRAGSMSEGGKSJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.74
Rot. Bonds6

About 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea

1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea (PubChem CID 71808640) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea
PubChem CID71808640
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C12H20N4O2/c1-16-11(9-3-4-9)7-10(15-16)8-14-12(17)13-5-6-18-2/h7,9H,3-6,8H2,1-2H3,(H2,13,14,17)
InChIKeyVXRAGSMSEGGKSJ-UHFFFAOYSA-N
XLogP0.74
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea (CID 71808640) is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCc1cc(C2CC2)n(C)n1.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
The InChIKey is VXRAGSMSEGGKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-11(9-3-4-9)7-10(15-16)8-14-12(17)13-5-6-18-2/h7,9H,3-6,8H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea has a molecular weight of 252.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 71808640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).