N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

C23H24N4O3 — CID 42420524

IUPACN-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cnn(CC(=O)N[C@H]2CCc3ccccc32)c1
InChIInChI=1S/C23H24N4O3/c28-22(12-13-30-19-7-2-1-3-8-19)25-18-14-24-27(15-18)16-23(29)26-21-11-10-17-6-4-5-9-20(17)21/h1-9,14-15,21H,10-13,16H2,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyUQMVGLBGHWMUJG-NRFANRHFSA-N
MW404.47 g/mol
LogP3.09
Rot. Bonds8

About N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (PubChem CID 42420524) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
PubChem CID42420524
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cnn(CC(=O)N[C@H]2CCc3ccccc32)c1
InChIInChI=1S/C23H24N4O3/c28-22(12-13-30-19-7-2-1-3-8-19)25-18-14-24-27(15-18)16-23(29)26-21-11-10-17-6-4-5-9-20(17)21/h1-9,14-15,21H,10-13,16H2,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyUQMVGLBGHWMUJG-NRFANRHFSA-N
XLogP3.09
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932180
2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75505902
[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 95795799
3-(4-fluorophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43060037
1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 5221280
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-phenoxybutanoate
CID 7185712
N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
CID 71849064
N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 45207313
N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 45242304
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-[1-[2-[N-methyl-2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 171654875
N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 171654812

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (CID 42420524) is N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1cnn(CC(=O)N[C@H]2CCc3ccccc32)c1.
What is the InChIKey of N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The InChIKey is UQMVGLBGHWMUJG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(12-13-30-19-7-2-1-3-8-19)25-18-14-24-27(15-18)16-23(29)26-21-11-10-17-6-4-5-9-20(17)21/h1-9,14-15,21H,10-13,16H2,(H,25,28)(H,26,29)/t21-/m0/s1.
What are the key properties of N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide has a molecular weight of 404.47 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 42420524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).