1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea

C17H22N4O — CID 124845668

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccnn1C
InChIInChI=1S/C17H22N4O/c1-3-15(16-9-10-18-21(16)2)20-17(22)19-14-8-7-12-5-4-6-13(12)11-14/h7-11,15H,3-6H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyHQPPKQWZZPHPOM-HNNXBMFYSA-N
MW298.39 g/mol
LogP3.18
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea (PubChem CID 124845668) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
PubChem CID124845668
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccnn1C
InChIInChI=1S/C17H22N4O/c1-3-15(16-9-10-18-21(16)2)20-17(22)19-14-8-7-12-5-4-6-13(12)11-14/h7-11,15H,3-6H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyHQPPKQWZZPHPOM-HNNXBMFYSA-N
XLogP3.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea
CID 29057333
1-(2,3-dihydro-1H-inden-5-yl)-3-[1-(4-methylphenyl)propyl]urea
CID 17249377
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 29057320
1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 97454459
1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
CID 125165681
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81085583
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea (CID 124845668) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea is CC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccnn1C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea?
The InChIKey is HQPPKQWZZPHPOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-15(16-9-10-18-21(16)2)20-17(22)19-14-8-7-12-5-4-6-13(12)11-14/h7-11,15H,3-6H2,1-2H3,(H2,19,20,22)/t15-/m0/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea is sourced from PubChem (CID 124845668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).