3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide

C65H74N16O9 — CID 160518218

IUPAC3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(C(=O)N4CCOCC4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(NC(C)=O)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3cnn(Cc4ccccc4)c3)n2)C1
InChIInChI=1S/C23H27N5O4.C22H24N6O2.C20H23N5O3/c1-2-20(29)27-9-3-4-18(14-27)28-15-19(22(24)30)21(25-28)16-5-7-17(8-6-16)23(31)26-10-12-32-13-11-26;1-2-20(29)26-10-6-9-18(14-26)28-15-19(22(23)30)21(25-28)17-11-24-27(13-17)12-16-7-4-3-5-8-16;1-3-18(27)24-10-4-5-16(11-24)25-12-17(20(21)28)19(23-25)14-6-8-15(9-7-14)22-13(2)26/h2,5-8,15,18H,1,3-4,9-14H2,(H2,24,30);2-5,7-8,11,13,15,18H,1,6,9-10,12,14H2,(H2,23,30);3,6-9,12,16H,1,4-5,10-11H2,2H3,(H2,21,28)(H,22,26)/t2*18-;16-/m111/s1
InChIKeyQTXYKZJPIHBDSJ-KNHTVYGNSA-N
MW1223.41 g/mol
LogP5.67
Rot. Bonds16

About 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide

3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 160518218) has the molecular formula C65H74N16O9 and a molecular weight of 1223.41 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
PubChem CID160518218
Molecular FormulaC65H74N16O9
Molecular Weight1223.41 g/mol
Exact Mass1222.58
IUPAC Name3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(C(=O)N4CCOCC4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(NC(C)=O)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3cnn(Cc4ccccc4)c3)n2)C1
InChIInChI=1S/C23H27N5O4.C22H24N6O2.C20H23N5O3/c1-2-20(29)27-9-3-4-18(14-27)28-15-19(22(24)30)21(25-28)16-5-7-17(8-6-16)23(31)26-10-12-32-13-11-26;1-2-20(29)26-10-6-9-18(14-26)28-15-19(22(23)30)21(25-28)17-11-24-27(13-17)12-16-7-4-3-5-8-16;1-3-18(27)24-10-4-5-16(11-24)25-12-17(20(21)28)19(23-25)14-6-8-15(9-7-14)22-13(2)26/h2,5-8,15,18H,1,3-4,9-14H2,(H2,24,30);2-5,7-8,11,13,15,18H,1,6,9-10,12,14H2,(H2,23,30);3,6-9,12,16H,1,4-5,10-11H2,2H3,(H2,21,28)(H,22,26)/t2*18-;16-/m111/s1
InChIKeyQTXYKZJPIHBDSJ-KNHTVYGNSA-N
XLogP5.67
TPSA320.12 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.41
LogP ≤ 55.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

(7S)-N-(1,4-dioxan-2-ylmethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpyrazol-3-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-3-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 157246629
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide
CID 157344333
3-cyclopropyl-1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-5-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;1,3-dimethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide;1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide;6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-1-propan-2-ylpyrazole-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 158564584
6-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;1,3-dimethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide;1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide;6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-1-propan-2-ylpyrazole-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 158986888
3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide;ethane;N-methyl-1-(1-prop-2-enoylpiperidin-3-yl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 144571650
N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 157090159
4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methyl-N-(morpholin-2-ylmethyl)pyrazole-3-carboxamide;20-methyl-8,13-dioxa-4,5,10,16,19,20,23-heptazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;18-methyl-11-oxa-4,5,8,14,17,18,21-heptazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione
CID 157136418
N-[(2S)-1-(azetidin-1-yl)-5-[[(1R,2S)-2-(4-methylphenyl)cyclopropyl]amino]-1-oxopentan-2-yl]-4-pyrazol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-methylphenyl)cyclopropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]-4-pyrazol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-methylphenyl)cyclopropyl]amino]-1-morpholin-4-yl-1-oxopentan-2-yl]-4-pyrazol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-methylphenyl)cyclopropyl]amino]-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]-4-pyrazol-1-ylbenzamide
CID 157906431
N-[2-(dimethylamino)ethyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 158104399
16-[1-[2-(Dimethylamino)ethyl]piperidin-4-yl]-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;16-[1-(2-hydroxyethyl)piperidin-4-yl]-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
CID 158185264
N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide
CID 158357850
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxamide
CID 158686903

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide (CID 160518218) is 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide is C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(C(=O)N4CCOCC4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(NC(C)=O)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3cnn(Cc4ccccc4)c3)n2)C1.
What is the InChIKey of 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is QTXYKZJPIHBDSJ-KNHTVYGNSA-N. The full InChI is InChI=1S/C23H27N5O4.C22H24N6O2.C20H23N5O3/c1-2-20(29)27-9-3-4-18(14-27)28-15-19(22(24)30)21(25-28)16-5-7-17(8-6-16)23(31)26-10-12-32-13-11-26;1-2-20(29)26-10-6-9-18(14-26)28-15-19(22(23)30)21(25-28)17-11-24-27(13-17)12-16-7-4-3-5-8-16;1-3-18(27)24-10-4-5-16(11-24)25-12-17(20(21)28)19(23-25)14-6-8-15(9-7-14)22-13(2)26/h2,5-8,15,18H,1,3-4,9-14H2,(H2,24,30);2-5,7-8,11,13,15,18H,1,6,9-10,12,14H2,(H2,23,30);3,6-9,12,16H,1,4-5,10-11H2,2H3,(H2,21,28)(H,22,26)/t2*18-;16-/m111/s1.
What are the key properties of 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?
3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 1223.41 g/mol, XLogP of 5.67, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 160518218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).