1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea

C12H20N4O2 — CID 118778096

IUPAC1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCOC2)n(C(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)16-11(6-9(3)15-16)14-12(17)13-10-4-5-18-7-10/h6,8,10H,4-5,7H2,1-3H3,(H2,13,14,17)
InChIKeyCJRUMZQJKUSZSC-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.68
Rot. Bonds3

About 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea

1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea (PubChem CID 118778096) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea
PubChem CID118778096
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCOC2)n(C(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)16-11(6-9(3)15-16)14-12(17)13-10-4-5-18-7-10/h6,8,10H,4-5,7H2,1-3H3,(H2,13,14,17)
InChIKeyCJRUMZQJKUSZSC-UHFFFAOYSA-N
XLogP1.68
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea (CID 118778096) is 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea is Cc1cc(NC(=O)NC2CCOC2)n(C(C)C)n1.
What is the InChIKey of 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea?
The InChIKey is CJRUMZQJKUSZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)16-11(6-9(3)15-16)14-12(17)13-10-4-5-18-7-10/h6,8,10H,4-5,7H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea?
1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea has a molecular weight of 252.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 118778096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).