N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

C13H18ClN5O3 — CID 70737699

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
SMILESCc1nn(CCNC(=O)CCC2NC(=O)NC2=O)c(C)c1Cl
InChIInChI=1S/C13H18ClN5O3/c1-7-11(14)8(2)19(18-7)6-5-15-10(20)4-3-9-12(21)17-13(22)16-9/h9H,3-6H2,1-2H3,(H,15,20)(H2,16,17,21,22)
InChIKeyQXHVYFQSOIARNP-UHFFFAOYSA-N
MW327.77 g/mol
LogP0.26
Rot. Bonds6

About N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide (PubChem CID 70737699) has the molecular formula C13H18ClN5O3 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
PubChem CID70737699
Molecular FormulaC13H18ClN5O3
Molecular Weight327.77 g/mol
Exact Mass327.11
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
SMILESCc1nn(CCNC(=O)CCC2NC(=O)NC2=O)c(C)c1Cl
InChIInChI=1S/C13H18ClN5O3/c1-7-11(14)8(2)19(18-7)6-5-15-10(20)4-3-9-12(21)17-13(22)16-9/h9H,3-6H2,1-2H3,(H,15,20)(H2,16,17,21,22)
InChIKeyQXHVYFQSOIARNP-UHFFFAOYSA-N
XLogP0.26
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 50.26
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

(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95225709
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 99954223
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 46971806
N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19621093
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19543724
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 86285451
2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
CID 97128970
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 94186078
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
CID 39969885
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 131930236
methyl 2-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]acetate
CID 19543793

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide (CID 70737699) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide is Cc1nn(CCNC(=O)CCC2NC(=O)NC2=O)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide?
The InChIKey is QXHVYFQSOIARNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O3/c1-7-11(14)8(2)19(18-7)6-5-15-10(20)4-3-9-12(21)17-13(22)16-9/h9H,3-6H2,1-2H3,(H,15,20)(H2,16,17,21,22).
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide has a molecular weight of 327.77 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide is sourced from PubChem (CID 70737699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).