N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide

C9H12ClN5O2 — CID 59794360

IUPACN-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide
SMILESO=C1NCCN1c1ccn(C(=O)NCCCl)n1
InChIInChI=1S/C9H12ClN5O2/c10-2-3-11-9(17)15-5-1-7(13-15)14-6-4-12-8(14)16/h1,5H,2-4,6H2,(H,11,17)(H,12,16)
InChIKeyBYBMSUCUISSWNU-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.21
Rot. Bonds3

About N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide

N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide (PubChem CID 59794360) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide
PubChem CID59794360
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC NameN-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide
SMILESO=C1NCCN1c1ccn(C(=O)NCCCl)n1
InChIInChI=1S/C9H12ClN5O2/c10-2-3-11-9(17)15-5-1-7(13-15)14-6-4-12-8(14)16/h1,5H,2-4,6H2,(H,11,17)(H,12,16)
InChIKeyBYBMSUCUISSWNU-UHFFFAOYSA-N
XLogP0.21
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(3-amino-1H-pyrazol-1-yl)ethyl)imidazolidin-2-one
CID 54594860
1-[1-[2-(Dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea
CID 56795480
3,3-dimethyl-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]azetidine-1-carboxamide
CID 138026136
3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 138026137
3-formamido-N,N-dimethylpyrazole-1-carboxamide
CID 328398
1-Acetyl-2(1-methyl-5-pyrazolyl)amino-2-imidazoline
CID 12763791
N-(1-carbamimidoylpyrazol-3-yl)-2-chloroacetamide
CID 54159303
1-(1-Tert-butylpyrazol-3-yl)imidazolidin-2-one
CID 58523787
N-(2-chloroethyl)-3-(2-chloroethylcarbamoylamino)pyrazole-1-carboxamide
CID 59794352
N-(3-Chloropropyl)-3-({[(3-chloropropyl)amino]carbonyl}amino)-1H-pyrazole-1-carboxamide
CID 59794354
N-(3-chloropropyl)-3-(2-oxo-1,3-diazinan-1-yl)pyrazole-1-carboxamide
CID 59794361
1-(1-Ethylpyrazol-3-yl)imidazolidin-2-one
CID 68199119

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide (CID 59794360) is N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide is O=C1NCCN1c1ccn(C(=O)NCCCl)n1.
What is the InChIKey of N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide?
The InChIKey is BYBMSUCUISSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c10-2-3-11-9(17)15-5-1-7(13-15)14-6-4-12-8(14)16/h1,5H,2-4,6H2,(H,11,17)(H,12,16).
What are the key properties of N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide?
N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide has a molecular weight of 257.68 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-(2-oxoimidazolidin-1-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 59794360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).