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

C17H22N4O — CID 86791947

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCn1cc(CCCNC(=O)NC2Cc3ccccc3C2)cn1
InChIInChI=1S/C17H22N4O/c1-21-12-13(11-19-21)5-4-8-18-17(22)20-16-9-14-6-2-3-7-15(14)10-16/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3,(H2,18,20,22)
InChIKeyTVPNIQQTRJZDAB-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.82
Rot. Bonds5

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

1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 86791947) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID86791947
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCn1cc(CCCNC(=O)NC2Cc3ccccc3C2)cn1
InChIInChI=1S/C17H22N4O/c1-21-12-13(11-19-21)5-4-8-18-17(22)20-16-9-14-6-2-3-7-15(14)10-16/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3,(H2,18,20,22)
InChIKeyTVPNIQQTRJZDAB-UHFFFAOYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-yl)-3-(3-fluoropropyl)urea
CID 75522852
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111121182
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111794595
3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide
CID 119951131
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111505787
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977
1-cyclopropyl-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110934875
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119184013
N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 134079697
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea (CID 86791947) is 1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea is Cn1cc(CCCNC(=O)NC2Cc3ccccc3C2)cn1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is TVPNIQQTRJZDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21-12-13(11-19-21)5-4-8-18-17(22)20-16-9-14-6-2-3-7-15(14)10-16/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3,(H2,18,20,22).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 298.39 g/mol, XLogP of 1.82, 5 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-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 86791947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).