1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea

C19H26N4O2 — CID 111794595

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCn1cc(CCCNC(=O)N(CCO)C2CCc3ccccc32)cn1
InChIInChI=1S/C19H26N4O2/c1-22-14-15(13-21-22)5-4-10-20-19(25)23(11-12-24)18-9-8-16-6-2-3-7-17(16)18/h2-3,6-7,13-14,18,24H,4-5,8-12H2,1H3,(H,20,25)
InChIKeyVUSLXJFPGKDENG-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.04
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea

1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 111794595) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID111794595
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCn1cc(CCCNC(=O)N(CCO)C2CCc3ccccc32)cn1
InChIInChI=1S/C19H26N4O2/c1-22-14-15(13-21-22)5-4-10-20-19(25)23(11-12-24)18-9-8-16-6-2-3-7-17(16)18/h2-3,6-7,13-14,18,24H,4-5,8-12H2,1H3,(H,20,25)
InChIKeyVUSLXJFPGKDENG-UHFFFAOYSA-N
XLogP2.04
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(2-phenylethyl)urea
CID 111383096
4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
CID 122022296
3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97089452
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 86791947
3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799415
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 111790468
3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
CID 95378072
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 111790521
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97034691
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea
CID 97034829
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857909

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea (CID 111794595) is 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea is Cn1cc(CCCNC(=O)N(CCO)C2CCc3ccccc32)cn1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is VUSLXJFPGKDENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-14-15(13-21-22)5-4-10-20-19(25)23(11-12-24)18-9-8-16-6-2-3-7-17(16)18/h2-3,6-7,13-14,18,24H,4-5,8-12H2,1H3,(H,20,25).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 111794595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).