1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one

C19H15ClFN5O3 — CID 86574307

IUPAC1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one
SMILESCOc1cncc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H15ClFN5O3/c1-29-13-4-11(7-22-8-13)17-6-16(19(28)25-9-18(27)23-10-25)24-26(17)12-2-3-15(21)14(20)5-12/h2-8H,9-10H2,1H3,(H,23,27)
InChIKeyDMRFUKYTSJXGIB-UHFFFAOYSA-N
MW415.81 g/mol
LogP2.26
Rot. Bonds4

About 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one

1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one (PubChem CID 86574307) has the molecular formula C19H15ClFN5O3 and a molecular weight of 415.81 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one
PubChem CID86574307
Molecular FormulaC19H15ClFN5O3
Molecular Weight415.81 g/mol
Exact Mass415.08
IUPAC Name1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one
SMILESCOc1cncc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H15ClFN5O3/c1-29-13-4-11(7-22-8-13)17-6-16(19(28)25-9-18(27)23-10-25)24-26(17)12-2-3-15(21)14(20)5-12/h2-8H,9-10H2,1H3,(H,23,27)
InChIKeyDMRFUKYTSJXGIB-UHFFFAOYSA-N
XLogP2.26
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.81
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162677266
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24981081
1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide
CID 155548662
4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 162676994
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157041
5-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-pyridinyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 89601517
N-(3-chlorophenyl)-3-(1,3-oxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 162666569
1-[3-(4-Fluorophenyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198759
1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 164611704
4-[1-(3-Chloro-4-fluoro-phenyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 73335117
4-[1-(3-Chloro-4-fluoro-phenyl)-5-[3-(difluoromethoxy)-5-fluoro-phenyl]pyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 73335318
1-[5-[3-(Difluoromethoxy)-5-fluoro-phenyl]-1-(3-pyridyl)pyrazole-3-carbonyl]imidazolidin-4-one
CID 86574260

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one?
The IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one (CID 86574307) is 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one?
The canonical SMILES for 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one is COc1cncc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one?
The InChIKey is DMRFUKYTSJXGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O3/c1-29-13-4-11(7-22-8-13)17-6-16(19(28)25-9-18(27)23-10-25)24-26(17)12-2-3-15(21)14(20)5-12/h2-8H,9-10H2,1H3,(H,23,27).
What are the key properties of 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one?
1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one has a molecular weight of 415.81 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 86574307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).