N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide

C19H25N5O4 — CID 91901529

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C19H25N5O4/c1-11(2)24-13(4)17(12(3)22-24)21-16(25)8-7-15-18(26)23(19(27)20-15)10-14-6-5-9-28-14/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,20,27)(H,21,25)/t15-/m0/s1
InChIKeyWTMUEOPPQTVYJM-HNNXBMFYSA-N
MW387.44 g/mol
LogP2.51
Rot. Bonds7

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 91901529) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID91901529
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C19H25N5O4/c1-11(2)24-13(4)17(12(3)22-24)21-16(25)8-7-15-18(26)23(19(27)20-15)10-14-6-5-9-28-14/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,20,27)(H,21,25)/t15-/m0/s1
InChIKeyWTMUEOPPQTVYJM-HNNXBMFYSA-N
XLogP2.51
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 91639750
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75489558
N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51833605
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 91821541
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 110209925
N-(1-benzylpiperidin-4-yl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531749
N-(1H-benzimidazol-2-ylmethyl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75357193
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110209805
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 124862622

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 91901529) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide is Cc1nn(C(C)C)c(C)c1NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is WTMUEOPPQTVYJM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-11(2)24-13(4)17(12(3)22-24)21-16(25)8-7-15-18(26)23(19(27)20-15)10-14-6-5-9-28-14/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,20,27)(H,21,25)/t15-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 387.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 91901529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).