1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea

C17H21N5O2 — CID 97088663

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCCc1cnn(C)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H21N5O2/c1-11(13-3-4-15-14(7-13)8-16(23)21-15)20-17(24)18-6-5-12-9-19-22(2)10-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,21,23)(H2,18,20,24)/t11-/m0/s1
InChIKeyIEOUSQHUMVWEOD-NSHDSACASA-N
MW327.39 g/mol
LogP1.52
Rot. Bonds5

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea (PubChem CID 97088663) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
PubChem CID97088663
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCCc1cnn(C)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H21N5O2/c1-11(13-3-4-15-14(7-13)8-16(23)21-15)20-17(24)18-6-5-12-9-19-22(2)10-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,21,23)(H2,18,20,24)/t11-/m0/s1
InChIKeyIEOUSQHUMVWEOD-NSHDSACASA-N
XLogP1.52
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea with MolForge

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120734
1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 95130541
1-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94031015
N-[3-oxo-3-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propyl]furan-2-carboxamide
CID 47048455
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 51083632
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
3-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689431
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea
CID 122159814
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 111454562
1-(furan-3-ylmethyl)-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea (CID 97088663) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea is C[C@H](NC(=O)NCCc1cnn(C)c1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
The InChIKey is IEOUSQHUMVWEOD-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(13-3-4-15-14(7-13)8-16(23)21-15)20-17(24)18-6-5-12-9-19-22(2)10-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,21,23)(H2,18,20,24)/t11-/m0/s1.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea has a molecular weight of 327.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea is sourced from PubChem (CID 97088663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).