1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one

C16H17Cl2N5O2 — CID 53353316

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one
SMILESCCc1nn(C)c(C(=O)N2CCN(Cc3ccc(Cl)nc3)C2=O)c1Cl
InChIInChI=1S/C16H17Cl2N5O2/c1-3-11-13(18)14(21(2)20-11)15(24)23-7-6-22(16(23)25)9-10-4-5-12(17)19-8-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyHSKUTLLNIPRJQW-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one

1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one (PubChem CID 53353316) has the molecular formula C16H17Cl2N5O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one
PubChem CID53353316
Molecular FormulaC16H17Cl2N5O2
Molecular Weight382.25 g/mol
Exact Mass381.08
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one
SMILESCCc1nn(C)c(C(=O)N2CCN(Cc3ccc(Cl)nc3)C2=O)c1Cl
InChIInChI=1S/C16H17Cl2N5O2/c1-3-11-13(18)14(21(2)20-11)15(24)23-7-6-22(16(23)25)9-10-4-5-12(17)19-8-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyHSKUTLLNIPRJQW-UHFFFAOYSA-N
XLogP2.76
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one (CID 53353316) is 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one is CCc1nn(C)c(C(=O)N2CCN(Cc3ccc(Cl)nc3)C2=O)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one?
The InChIKey is HSKUTLLNIPRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O2/c1-3-11-13(18)14(21(2)20-11)15(24)23-7-6-22(16(23)25)9-10-4-5-12(17)19-8-10/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one?
1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one has a molecular weight of 382.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 53353316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).