N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide

C20H25N5O3 — CID 71849064

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C20H25N5O3/c26-19(20(27)23-18-6-5-15-3-1-2-4-17(15)18)22-16-13-21-25(14-16)8-7-24-9-11-28-12-10-24/h1-4,13-14,18H,5-12H2,(H,22,26)(H,23,27)
InChIKeyHGMAMVAOGNAJIU-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.96
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide

N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide (PubChem CID 71849064) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
PubChem CID71849064
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C20H25N5O3/c26-19(20(27)23-18-6-5-15-3-1-2-4-17(15)18)22-16-13-21-25(14-16)8-7-24-9-11-28-12-10-24/h1-4,13-14,18H,5-12H2,(H,22,26)(H,23,27)
InChIKeyHGMAMVAOGNAJIU-UHFFFAOYSA-N
XLogP0.96
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
CID 71849040
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66783995
N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 42420524
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932180
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 138992785
2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-morpholin-4-ylethyl)urea
CID 94021234
(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129471937

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide (CID 71849064) is N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide is O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide?
The InChIKey is HGMAMVAOGNAJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-19(20(27)23-18-6-5-15-3-1-2-4-17(15)18)22-16-13-21-25(14-16)8-7-24-9-11-28-12-10-24/h1-4,13-14,18H,5-12H2,(H,22,26)(H,23,27).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide?
N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide has a molecular weight of 383.45 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide is sourced from PubChem (CID 71849064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).