2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one

C119H137N35O13 — CID 158679100

IUPAC2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one
SMILESCOCCN1C(=O)CCN1C(=O)/C=C\n1cnc(-c2cc(C)cc(C)c2)n1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3C3CCN(C)CC3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3CC#N)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3CC3CC3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3CCN(C)C)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3c3cnccn3)n2)c1
InChIInChI=1S/C22H28N6O2.C20H19N7O2.C20H26N6O2.C20H23N5O2.C19H23N5O3.C18H18N6O2/c1-16-12-17(2)14-18(13-16)22-23-15-26(24-22)10-6-20(29)27-11-7-21(30)28(27)19-4-8-25(3)9-5-19;1-14-9-15(2)11-16(10-14)20-23-13-25(24-20)7-3-18(28)26-8-4-19(29)27(26)17-12-21-5-6-22-17;1-15-11-16(2)13-17(12-15)20-21-14-24(22-20)7-5-18(27)25-8-6-19(28)26(25)10-9-23(3)4;1-14-9-15(2)11-17(10-14)20-21-13-23(22-20)7-5-18(26)24-8-6-19(27)25(24)12-16-3-4-16;1-14-10-15(2)12-16(11-14)19-20-13-22(21-19)6-4-17(25)23-7-5-18(26)24(23)8-9-27-3;1-13-9-14(2)11-15(10-13)18-20-12-22(21-18)6-3-16(25)23-7-4-17(26)24(23)8-5-19/h6,10,12-15,19H,4-5,7-9,11H2,1-3H3;3,5-7,9-13H,4,8H2,1-2H3;5,7,11-14H,6,8-10H2,1-4H3;5,7,9-11,13,16H,3-4,6,8,12H2,1-2H3;4,6,10-13H,5,7-9H2,1-3H3;3,6,9-12H,4,7-8H2,1-2H3/b10-6-;7-3-;2*7-5-;6-4-;6-3-
InChIKeyIEWVQEOSGYVEMG-VKMBUJSISA-N
MW2265.64 g/mol
LogP11.28
Rot. Bonds29

About 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one

2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one (PubChem CID 158679100) has the molecular formula C119H137N35O13 and a molecular weight of 2265.64 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one
PubChem CID158679100
Molecular FormulaC119H137N35O13
Molecular Weight2265.64 g/mol
Exact Mass2264.11
IUPAC Name2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one
SMILESCOCCN1C(=O)CCN1C(=O)/C=C\n1cnc(-c2cc(C)cc(C)c2)n1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3C3CCN(C)CC3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3CC#N)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3CC3CC3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3CCN(C)C)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3c3cnccn3)n2)c1
InChIInChI=1S/C22H28N6O2.C20H19N7O2.C20H26N6O2.C20H23N5O2.C19H23N5O3.C18H18N6O2/c1-16-12-17(2)14-18(13-16)22-23-15-26(24-22)10-6-20(29)27-11-7-21(30)28(27)19-4-8-25(3)9-5-19;1-14-9-15(2)11-16(10-14)20-23-13-25(24-20)7-3-18(28)26-8-4-19(29)27(26)17-12-21-5-6-22-17;1-15-11-16(2)13-17(12-15)20-21-14-24(22-20)7-5-18(27)25-8-6-19(28)26(25)10-9-23(3)4;1-14-9-15(2)11-17(10-14)20-21-13-23(22-20)7-5-18(26)24-8-6-19(27)25(24)12-16-3-4-16;1-14-10-15(2)12-16(11-14)19-20-13-22(21-19)6-4-17(25)23-7-5-18(26)24(23)8-9-27-3;1-13-9-14(2)11-15(10-13)18-20-12-22(21-18)6-3-16(25)23-7-4-17(26)24(23)8-5-19/h6,10,12-15,19H,4-5,7-9,11H2,1-3H3;3,5-7,9-13H,4,8H2,1-2H3;5,7,11-14H,6,8-10H2,1-4H3;5,7,9-11,13,16H,3-4,6,8,12H2,1-2H3;4,6,10-13H,5,7-9H2,1-3H3;3,6,9-12H,4,7-8H2,1-2H3/b10-6-;7-3-;2*7-5-;6-4-;6-3-
InChIKeyIEWVQEOSGYVEMG-VKMBUJSISA-N
XLogP11.28
TPSA493.26 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002265.64
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(2-acetylpyrazolidin-1-yl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-en-1-one;(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-1-(2-ethylpyrazolidin-1-yl)prop-2-en-1-one;(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-1-(2-methylpyrazolidin-1-yl)prop-2-en-1-one;(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-1-(2-propan-2-ylpyrazolidin-1-yl)prop-2-en-1-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-1-yl]acetonitrile;(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-1-(2-pyrazin-2-ylpyrazolidin-1-yl)prop-2-en-1-one;(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-1-[2-(2,2,2-trifluoroethyl)pyrazolidin-1-yl]prop-2-en-1-one
CID 157357995

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one (CID 158679100) is 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one is COCCN1C(=O)CCN1C(=O)/C=C\n1cnc(-c2cc(C)cc(C)c2)n1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3C3CCN(C)CC3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3CC#N)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3CC3CC3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3CCN(C)C)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\C(=O)N3CCC(=O)N3c3cnccn3)n2)c1.
What is the InChIKey of 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one?
The InChIKey is IEWVQEOSGYVEMG-VKMBUJSISA-N. The full InChI is InChI=1S/C22H28N6O2.C20H19N7O2.C20H26N6O2.C20H23N5O2.C19H23N5O3.C18H18N6O2/c1-16-12-17(2)14-18(13-16)22-23-15-26(24-22)10-6-20(29)27-11-7-21(30)28(27)19-4-8-25(3)9-5-19;1-14-9-15(2)11-16(10-14)20-23-13-25(24-20)7-3-18(28)26-8-4-19(29)27(26)17-12-21-5-6-22-17;1-15-11-16(2)13-17(12-15)20-21-14-24(22-20)7-5-18(27)25-8-6-19(28)26(25)10-9-23(3)4;1-14-9-15(2)11-17(10-14)20-21-13-23(22-20)7-5-18(26)24-8-6-19(27)25(24)12-16-3-4-16;1-14-10-15(2)12-16(11-14)19-20-13-22(21-19)6-4-17(25)23-7-5-18(26)24(23)8-9-27-3;1-13-9-14(2)11-15(10-13)18-20-12-22(21-18)6-3-16(25)23-7-4-17(26)24(23)8-5-19/h6,10,12-15,19H,4-5,7-9,11H2,1-3H3;3,5-7,9-13H,4,8H2,1-2H3;5,7,11-14H,6,8-10H2,1-4H3;5,7,9-11,13,16H,3-4,6,8,12H2,1-2H3;4,6,10-13H,5,7-9H2,1-3H3;3,6,9-12H,4,7-8H2,1-2H3/b10-6-;7-3-;2*7-5-;6-4-;6-3-.
What are the key properties of 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one?
2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one has a molecular weight of 2265.64 g/mol, XLogP of 11.28, 29 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;2-[2-(dimethylamino)ethyl]-1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(2-methoxyethyl)pyrazolidin-3-one;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-(1-methylpiperidin-4-yl)pyrazolidin-3-one;2-[2-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-5-oxopyrazolidin-1-yl]acetonitrile;1-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]-2-pyrazin-2-ylpyrazolidin-3-one is sourced from PubChem (CID 158679100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).