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

C18H24N4O2 — CID 97219009

IUPAC1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCCOc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C18H24N4O2/c1-4-24-17-7-5-6-14-15(17)8-9-16(14)21-18(23)20-12(2)13-10-19-22(3)11-13/h5-7,10-12,16H,4,8-9H2,1-3H3,(H2,20,21,23)/t12-,16-/m0/s1
InChIKeyKARQAIIESQZYCU-LRDDRELGSA-N
MW328.42 g/mol
LogP2.87
Rot. Bonds5

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

1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 97219009) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID97219009
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCCOc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C18H24N4O2/c1-4-24-17-7-5-6-14-15(17)8-9-16(14)21-18(23)20-12(2)13-10-19-22(3)11-13/h5-7,10-12,16H,4,8-9H2,1-3H3,(H2,20,21,23)/t12-,16-/m0/s1
InChIKeyKARQAIIESQZYCU-LRDDRELGSA-N
XLogP2.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96562904
1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96562901
1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 122143288
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366
N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 63091008
1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71868289
1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97101111
N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95573084
1-(4-bromo-2,3-dihydro-1H-inden-1-yl)-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 86886139
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111631153
1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 96518471
1-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[(1R)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97245202

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea (CID 97219009) is 1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea is CCOc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)c1cnn(C)c1.
What is the InChIKey of 1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is KARQAIIESQZYCU-LRDDRELGSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-24-17-7-5-6-14-15(17)8-9-16(14)21-18(23)20-12(2)13-10-19-22(3)11-13/h5-7,10-12,16H,4,8-9H2,1-3H3,(H2,20,21,23)/t12-,16-/m0/s1.
What are the key properties of 1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 97219009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).