1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea

C19H24N4O2 — CID 136564529

IUPAC1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea
SMILESCC1(NC(=O)Nc2ccnn2C2CCCOC2)Cc2ccccc2C1
InChIInChI=1S/C19H24N4O2/c1-19(11-14-5-2-3-6-15(14)12-19)22-18(24)21-17-8-9-20-23(17)16-7-4-10-25-13-16/h2-3,5-6,8-9,16H,4,7,10-13H2,1H3,(H2,21,22,24)
InChIKeyMKCIXEQMVJAUOF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.91
Rot. Bonds3

About 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea

1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea (PubChem CID 136564529) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea
PubChem CID136564529
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea
SMILESCC1(NC(=O)Nc2ccnn2C2CCCOC2)Cc2ccccc2C1
InChIInChI=1S/C19H24N4O2/c1-19(11-14-5-2-3-6-15(14)12-19)22-18(24)21-17-8-9-20-23(17)16-7-4-10-25-13-16/h2-3,5-6,8-9,16H,4,7,10-13H2,1H3,(H2,21,22,24)
InChIKeyMKCIXEQMVJAUOF-UHFFFAOYSA-N
XLogP2.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclobutylpyrazol-3-yl)-3-(3,4-dihydro-1H-isochromen-4-yl)urea
CID 136564551
4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid
CID 167965174
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide
CID 134702651
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 95042358
N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955324
1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea
CID 111116972
4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 136567281
1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111120671
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea (CID 136564529) is 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea is CC1(NC(=O)Nc2ccnn2C2CCCOC2)Cc2ccccc2C1.
What is the InChIKey of 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea?
The InChIKey is MKCIXEQMVJAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(11-14-5-2-3-6-15(14)12-19)22-18(24)21-17-8-9-20-23(17)16-7-4-10-25-13-16/h2-3,5-6,8-9,16H,4,7,10-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea?
1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea is sourced from PubChem (CID 136564529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).