1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea

C11H18N4O — CID 71808639

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C11H18N4O/c1-3-12-11(16)13-7-9-6-10(8-4-5-8)15(2)14-9/h6,8H,3-5,7H2,1-2H3,(H2,12,13,16)
InChIKeyGEJXTIOKRBWCRV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds4

About 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea

1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea (PubChem CID 71808639) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea
PubChem CID71808639
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C11H18N4O/c1-3-12-11(16)13-7-9-6-10(8-4-5-8)15(2)14-9/h6,8H,3-5,7H2,1-2H3,(H2,12,13,16)
InChIKeyGEJXTIOKRBWCRV-UHFFFAOYSA-N
XLogP1.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea (CID 71808639) is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea is CCNC(=O)NCc1cc(C2CC2)n(C)n1.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea?
The InChIKey is GEJXTIOKRBWCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-12-11(16)13-7-9-6-10(8-4-5-8)15(2)14-9/h6,8H,3-5,7H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea?
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea has a molecular weight of 222.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-ethylurea is sourced from PubChem (CID 71808639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).