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

C19H26N4O2 — CID 97089452

IUPAC1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC[C@@H](NC(=O)N(CCCO)[C@@H]1CCc2ccccc21)c1cnn(C)c1
InChIInChI=1S/C19H26N4O2/c1-14(16-12-20-22(2)13-16)21-19(25)23(10-5-11-24)18-9-8-15-6-3-4-7-17(15)18/h3-4,6-7,12-14,18,24H,5,8-11H2,1-2H3,(H,21,25)/t14-,18-/m1/s1
InChIKeyLSSPTHVNEVVJIC-RDTXWAMCSA-N
MW342.44 g/mol
LogP2.56
Rot. Bonds6

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

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 97089452) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID97089452
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC[C@@H](NC(=O)N(CCCO)[C@@H]1CCc2ccccc21)c1cnn(C)c1
InChIInChI=1S/C19H26N4O2/c1-14(16-12-20-22(2)13-16)21-19(25)23(10-5-11-24)18-9-8-15-6-3-4-7-17(15)18/h3-4,6-7,12-14,18,24H,5,8-11H2,1-2H3,(H,21,25)/t14-,18-/m1/s1
InChIKeyLSSPTHVNEVVJIC-RDTXWAMCSA-N
XLogP2.56
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(1,3-Dihydroisoindol-2-yl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 72151344
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)urea
CID 72134288
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 75425291
(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 84595210
[(2R)-1-[[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]carbamoylamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 141643474
N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methylurea
CID 72899635
N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 75390243
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 97570406
2-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 99782208
N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 121516641
N-(2-fluorobenzyl)-N-(2-hydroxyethyl)-N'-[(1-propyl-1H-pyrazol-4-yl)methyl]urea
CID 122567162
1-methyl-1-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 126444910

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea (CID 97089452) is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea is C[C@@H](NC(=O)N(CCCO)[C@@H]1CCc2ccccc21)c1cnn(C)c1.
What is the InChIKey of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is LSSPTHVNEVVJIC-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(16-12-20-22(2)13-16)21-19(25)23(10-5-11-24)18-9-8-15-6-3-4-7-17(15)18/h3-4,6-7,12-14,18,24H,5,8-11H2,1-2H3,(H,21,25)/t14-,18-/m1/s1.
What are the key properties of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea?
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 97089452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).