1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one

C18H13ClFN5O2 — CID 71576484

IUPAC1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3ccccn3)n2)CN1
InChIInChI=1S/C18H13ClFN5O2/c19-12-5-11(6-13(20)7-12)15-8-14(18(27)24-9-17(26)22-10-24)23-25(15)16-3-1-2-4-21-16/h1-8H,9-10H2,(H,22,26)
InChIKeyWAHSDGZVWXMRAB-UHFFFAOYSA-N
MW385.79 g/mol
LogP2.26
Rot. Bonds3

About 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one

1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one (PubChem CID 71576484) has the molecular formula C18H13ClFN5O2 and a molecular weight of 385.79 g/mol. Its IUPAC name is 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one
PubChem CID71576484
Molecular FormulaC18H13ClFN5O2
Molecular Weight385.79 g/mol
Exact Mass385.07
IUPAC Name1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3ccccn3)n2)CN1
InChIInChI=1S/C18H13ClFN5O2/c19-12-5-11(6-13(20)7-12)15-8-14(18(27)24-9-17(26)22-10-24)23-25(15)16-3-1-2-4-21-16/h1-8H,9-10H2,(H,22,26)
InChIKeyWAHSDGZVWXMRAB-UHFFFAOYSA-N
XLogP2.26
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.79
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
CID 174610658
[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 141365455
1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one
CID 50942916
1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
CID 58277368
1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
CID 58277357
1-[1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
CID 175269343
1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid
CID 67153505
[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone
CID 118006384
1-[1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
CID 174717759
[5-(3-chloro-5-fluorophenyl)-1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-imidazol-1-ylmethanone
CID 141365463
1-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperidin-4-one
CID 45276937
4-[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]piperazin-2-one
CID 86574656

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one?
The IUPAC name of 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one (CID 71576484) is 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one?
The canonical SMILES for 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one is O=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3ccccn3)n2)CN1.
What is the InChIKey of 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one?
The InChIKey is WAHSDGZVWXMRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O2/c19-12-5-11(6-13(20)7-12)15-8-14(18(27)24-9-17(26)22-10-24)23-25(15)16-3-1-2-4-21-16/h1-8H,9-10H2,(H,22,26).
What are the key properties of 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one?
1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one has a molecular weight of 385.79 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 71576484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).