N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

C13H19N5O3 — CID 86285451

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1n[nH]c(C)c1CCNC(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C13H19N5O3/c1-7-9(8(2)18-17-7)5-6-14-11(19)4-3-10-12(20)16-13(21)15-10/h10H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21)/t10-/m0/s1
InChIKeyFHMCJRNYMAWNCF-JTQLQIEISA-N
MW293.33 g/mol
LogP-0.33
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 86285451) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID86285451
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1n[nH]c(C)c1CCNC(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C13H19N5O3/c1-7-9(8(2)18-17-7)5-6-14-11(19)4-3-10-12(20)16-13(21)15-10/h10H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21)/t10-/m0/s1
InChIKeyFHMCJRNYMAWNCF-JTQLQIEISA-N
XLogP-0.33
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 86285451) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is Cc1n[nH]c(C)c1CCNC(=O)CC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is FHMCJRNYMAWNCF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O3/c1-7-9(8(2)18-17-7)5-6-14-11(19)4-3-10-12(20)16-13(21)15-10/h10H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21)/t10-/m0/s1.
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 293.33 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 86285451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).