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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Related Compounds

Indenopyrazole 5a
CID 5329604
Indenopyrazole 5c
CID 5329606
Indenopyrazole 5d
CID 5329607
Indenopyrazole 5j
CID 5329613
Indenopyrazole 5k
CID 5329614
Indenopyrazole 13d
CID 5329628
Indenopyrazole 13e
CID 5329629
Indenopyrazole 13h
CID 5329632
Indenopyrazole 13k
CID 5329635
Indenopyrazole 13n
CID 5329638
Indenopyrazole 13o
CID 5329639
Indenopyrazole 13r
CID 5329641

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).