1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea

C17H21N5O2 — CID 95130541

IUPAC1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
SMILESC[C@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H21N5O2/c1-12(13-4-5-15-14(10-13)11-16(23)21-15)20-17(24)18-6-2-8-22-9-3-7-19-22/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H,21,23)(H2,18,20,24)/t12-/m0/s1
InChIKeySFYQWWKOZJYBPP-LBPRGKRZSA-N
MW327.39 g/mol
LogP1.83
Rot. Bonds6

About 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea

1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea (PubChem CID 95130541) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
PubChem CID95130541
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
SMILESC[C@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H21N5O2/c1-12(13-4-5-15-14(10-13)11-16(23)21-15)20-17(24)18-6-2-8-22-9-3-7-19-22/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H,21,23)(H2,18,20,24)/t12-/m0/s1
InChIKeySFYQWWKOZJYBPP-LBPRGKRZSA-N
XLogP1.83
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94031015
1-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94194557
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
CID 97088663
1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94029203
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94168661
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120734
1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
CID 94129872
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
N-[3-oxo-3-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propyl]furan-2-carboxamide
CID 47048455
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47221371
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71891405

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea (CID 95130541) is 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea is C[C@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea?
The InChIKey is SFYQWWKOZJYBPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(13-4-5-15-14(10-13)11-16(23)21-15)20-17(24)18-6-2-8-22-9-3-7-19-22/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H,21,23)(H2,18,20,24)/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea?
1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea has a molecular weight of 327.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 95130541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).