1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea

C12H10N4O2 — CID 143073774

IUPAC1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea
SMILESCNC(=O)Nc1cccc2c1C(=O)c1cn[nH]c1-2
InChIInChI=1S/C12H10N4O2/c1-13-12(18)15-8-4-2-3-6-9(8)11(17)7-5-14-16-10(6)7/h2-5H,1H3,(H,14,16)(H2,13,15,18)
InChIKeyVCCMMFKLUDWJDW-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.37
Rot. Bonds1

About 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea

1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea (PubChem CID 143073774) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea
PubChem CID143073774
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea
SMILESCNC(=O)Nc1cccc2c1C(=O)c1cn[nH]c1-2
InChIInChI=1S/C12H10N4O2/c1-13-12(18)15-8-4-2-3-6-9(8)11(17)7-5-14-16-10(6)7/h2-5H,1H3,(H,14,16)(H2,13,15,18)
InChIKeyVCCMMFKLUDWJDW-UHFFFAOYSA-N
XLogP1.37
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea?
The IUPAC name of 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea (CID 143073774) is 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea.
What is the SMILES notation for 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea?
The canonical SMILES for 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea is CNC(=O)Nc1cccc2c1C(=O)c1cn[nH]c1-2.
What is the InChIKey of 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea?
The InChIKey is VCCMMFKLUDWJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-13-12(18)15-8-4-2-3-6-9(8)11(17)7-5-14-16-10(6)7/h2-5H,1H3,(H,14,16)(H2,13,15,18).
What are the key properties of 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea?
1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea has a molecular weight of 242.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea is sourced from PubChem (CID 143073774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).