1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea

C19H19N5O2S — CID 68881915

IUPAC1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea
SMILESCc1cc(C2=C3C(=O)c4c(NC(=O)NN(C)C)cccc4C3N=N2)c(C)s1
InChIInChI=1S/C19H19N5O2S/c1-9-8-12(10(2)27-9)17-15-16(21-22-17)11-6-5-7-13(14(11)18(15)25)20-19(26)23-24(3)4/h5-8,16H,1-4H3,(H2,20,23,26)
InChIKeyJUKCLNFXOFGYSO-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.08
Rot. Bonds3

About 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea

1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea (PubChem CID 68881915) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea
PubChem CID68881915
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea
SMILESCc1cc(C2=C3C(=O)c4c(NC(=O)NN(C)C)cccc4C3N=N2)c(C)s1
InChIInChI=1S/C19H19N5O2S/c1-9-8-12(10(2)27-9)17-15-16(21-22-17)11-6-5-7-13(14(11)18(15)25)20-19(26)23-24(3)4/h5-8,16H,1-4H3,(H2,20,23,26)
InChIKeyJUKCLNFXOFGYSO-UHFFFAOYSA-N
XLogP4.08
TPSA86.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea?
The IUPAC name of 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea (CID 68881915) is 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea.
What is the SMILES notation for 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea?
The canonical SMILES for 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea is Cc1cc(C2=C3C(=O)c4c(NC(=O)NN(C)C)cccc4C3N=N2)c(C)s1.
What is the InChIKey of 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea?
The InChIKey is JUKCLNFXOFGYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-9-8-12(10(2)27-9)17-15-16(21-22-17)11-6-5-7-13(14(11)18(15)25)20-19(26)23-24(3)4/h5-8,16H,1-4H3,(H2,20,23,26).
What are the key properties of 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea?
1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea has a molecular weight of 381.46 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]urea is sourced from PubChem (CID 68881915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).