5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one

C109H124Cl4FN15O10 — CID 161173675

IUPAC5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(OCC(C)C)c(F)c3)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@@H](C)C(C)C)cc3Cl)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@@H](C)C4CC4)cc3Cl)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@H](C)C(C)C)cc3Cl)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@H](C)C4CC4)cc3Cl)cn2)ccc1=O
InChIInChI=1S/2C22H24ClN3O2.2C22H26ClN3O2.C21H24FN3O2/c2*1-3-10-25-14-18(6-9-22(25)27)26-13-17(12-24-26)20-8-7-19(11-21(20)23)28-15(2)16-4-5-16;2*1-5-10-25-14-18(6-9-22(25)27)26-13-17(12-24-26)20-8-7-19(11-21(20)23)28-16(4)15(2)3;1-4-9-24-13-18(6-8-21(24)26)25-12-17(11-23-25)16-5-7-20(19(22)10-16)27-14-15(2)3/h2*6-9,11-16H,3-5,10H2,1-2H3;2*6-9,11-16H,5,10H2,1-4H3;5-8,10-13,15H,4,9,14H2,1-3H3/t2*15-;2*16-;/m1010./s1
InChIKeyURNDCHBPFQBWHB-KGYGHEPJSA-N
MW1965.10 g/mol
LogP24.54
Rot. Bonds35

About 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one

5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 161173675) has the molecular formula C109H124Cl4FN15O10 and a molecular weight of 1965.10 g/mol. Its IUPAC name is 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID161173675
Molecular FormulaC109H124Cl4FN15O10
Molecular Weight1965.10 g/mol
Exact Mass1961.84
IUPAC Name5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(OCC(C)C)c(F)c3)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@@H](C)C(C)C)cc3Cl)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@@H](C)C4CC4)cc3Cl)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@H](C)C(C)C)cc3Cl)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@H](C)C4CC4)cc3Cl)cn2)ccc1=O
InChIInChI=1S/2C22H24ClN3O2.2C22H26ClN3O2.C21H24FN3O2/c2*1-3-10-25-14-18(6-9-22(25)27)26-13-17(12-24-26)20-8-7-19(11-21(20)23)28-15(2)16-4-5-16;2*1-5-10-25-14-18(6-9-22(25)27)26-13-17(12-24-26)20-8-7-19(11-21(20)23)28-16(4)15(2)3;1-4-9-24-13-18(6-8-21(24)26)25-12-17(11-23-25)16-5-7-20(19(22)10-16)27-14-15(2)3/h2*6-9,11-16H,3-5,10H2,1-2H3;2*6-9,11-16H,5,10H2,1-4H3;5-8,10-13,15H,4,9,14H2,1-3H3/t2*15-;2*16-;/m1010./s1
InChIKeyURNDCHBPFQBWHB-KGYGHEPJSA-N
XLogP24.54
TPSA245.25 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001965.10
LogP ≤ 524.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one with MolForge

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Related Compounds

5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339053
5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339051
5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339040
5-[4-[2-[(1-methylcyclopropyl)methyl]pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-(2-methylpropyl)pyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;1-(2-methylpropyl)-5-[4-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]pyridin-2-one;5-[4-[2-(oxetan-3-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 158010339
5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 159612758
2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809365
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809398
5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339033
4-[3-fluoro-4-(2-methylpropoxy)phenyl]-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69092156
4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958445
2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid
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1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrazole
CID 107958448

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 161173675) is 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3ccc(OCC(C)C)c(F)c3)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@@H](C)C(C)C)cc3Cl)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@@H](C)C4CC4)cc3Cl)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@H](C)C(C)C)cc3Cl)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(O[C@H](C)C4CC4)cc3Cl)cn2)ccc1=O.
What is the InChIKey of 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is URNDCHBPFQBWHB-KGYGHEPJSA-N. The full InChI is InChI=1S/2C22H24ClN3O2.2C22H26ClN3O2.C21H24FN3O2/c2*1-3-10-25-14-18(6-9-22(25)27)26-13-17(12-24-26)20-8-7-19(11-21(20)23)28-15(2)16-4-5-16;2*1-5-10-25-14-18(6-9-22(25)27)26-13-17(12-24-26)20-8-7-19(11-21(20)23)28-16(4)15(2)3;1-4-9-24-13-18(6-8-21(24)26)25-12-17(11-23-25)16-5-7-20(19(22)10-16)27-14-15(2)3/h2*6-9,11-16H,3-5,10H2,1-2H3;2*6-9,11-16H,5,10H2,1-4H3;5-8,10-13,15H,4,9,14H2,1-3H3/t2*15-;2*16-;/m1010./s1.
What are the key properties of 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 1965.10 g/mol, XLogP of 24.54, 35 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 161173675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).