3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide

C22H24N6O3 — CID 167781439

IUPAC3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide
SMILESN#Cc1ccc(N2C(=O)NC(CCC(=O)Nc3cc(C4CCCCC4)[nH]n3)C2=O)cc1
InChIInChI=1S/C22H24N6O3/c23-13-14-6-8-16(9-7-14)28-21(30)17(24-22(28)31)10-11-20(29)25-19-12-18(26-27-19)15-4-2-1-3-5-15/h6-9,12,15,17H,1-5,10-11H2,(H,24,31)(H2,25,26,27,29)
InChIKeySDYGIUIKDLUEHC-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.17
Rot. Bonds6

About 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide

3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide (PubChem CID 167781439) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide
PubChem CID167781439
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide
SMILESN#Cc1ccc(N2C(=O)NC(CCC(=O)Nc3cc(C4CCCCC4)[nH]n3)C2=O)cc1
InChIInChI=1S/C22H24N6O3/c23-13-14-6-8-16(9-7-14)28-21(30)17(24-22(28)31)10-11-20(29)25-19-12-18(26-27-19)15-4-2-1-3-5-15/h6-9,12,15,17H,1-5,10-11H2,(H,24,31)(H2,25,26,27,29)
InChIKeySDYGIUIKDLUEHC-UHFFFAOYSA-N
XLogP3.17
TPSA130.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pha-533533
CID 5330949
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
CID 5330953
3-Aminopyrazole deriv. 27
CID 5330961
N-butyl-3-{2-[4-(pyrrolidin-1-yl)phenyl]acetamido}-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 11361885
N-phenyl-3-(2-phenylacetamido)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 23645988
(2R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330957
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330958
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330965
N-butyl-3-{2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamido}-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 23645992
(2R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330948
(2S,3S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide
CID 44237040

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide (CID 167781439) is 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide is N#Cc1ccc(N2C(=O)NC(CCC(=O)Nc3cc(C4CCCCC4)[nH]n3)C2=O)cc1.
What is the InChIKey of 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is SDYGIUIKDLUEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c23-13-14-6-8-16(9-7-14)28-21(30)17(24-22(28)31)10-11-20(29)25-19-12-18(26-27-19)15-4-2-1-3-5-15/h6-9,12,15,17H,1-5,10-11H2,(H,24,31)(H2,25,26,27,29).
What are the key properties of 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide?
3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 420.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 167781439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).