N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide

C101H145N23O9 — CID 158870550

IUPACN-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2=CC(NC(C)C)=NC2)c1.CC(C)NC1=NCC(C(=O)NC2CC[C@H](C)C2)=C1.CC(C)NC1=NCC(C(=O)Nc2ccc(C(C)C)cc2)=C1.CC(C)Nc1cc(C(=O)N2CCOCC2)[nH]n1.CCC(CC)NC(=O)c1cc(NC(C)C)n[nH]1.CCc1ccc(NC(=O)C2=CC(NC(C)C)=NC2)cc1.Cc1ccc(CC(=O)c2cc(NC(C)C)n[nH]2)cc1
InChIInChI=1S/C17H23N3O.C16H19N3O2.C16H21N3O.C15H19N3O.C14H23N3O.C12H22N4O.C11H18N4O2/c1-11(2)13-5-7-15(8-6-13)20-17(21)14-9-16(18-10-14)19-12(3)4;1-10(2)18-15-8-13(9-17-15)16(21)19-14-6-4-5-12(7-14)11(3)20;1-4-12-5-7-14(8-6-12)19-16(20)13-9-15(17-10-13)18-11(2)3;1-10(2)16-15-9-13(17-18-15)14(19)8-12-6-4-11(3)5-7-12;1-9(2)16-13-7-11(8-15-13)14(18)17-12-5-4-10(3)6-12;1-5-9(6-2)14-12(17)10-7-11(16-15-10)13-8(3)4;1-8(2)12-10-7-9(13-14-10)11(16)15-3-5-17-6-4-15/h5-9,11-12H,10H2,1-4H3,(H,18,19)(H,20,21);4-8,10H,9H2,1-3H3,(H,17,18)(H,19,21);5-9,11H,4,10H2,1-3H3,(H,17,18)(H,19,20);4-7,9-10H,8H2,1-3H3,(H2,16,17,18);7,9-10,12H,4-6,8H2,1-3H3,(H,15,16)(H,17,18);7-9H,5-6H2,1-4H3,(H,14,17)(H2,13,15,16);7-8H,3-6H2,1-2H3,(H2,12,13,14)/t;;;;10-,12?;;/m....0../s1
InChIKeyJBUAWBNADFOXRW-MFYINWHQSA-N
MW1825.42 g/mol
LogP15.22
Rot. Bonds29

About N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide

N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide (PubChem CID 158870550) has the molecular formula C101H145N23O9 and a molecular weight of 1825.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide
PubChem CID158870550
Molecular FormulaC101H145N23O9
Molecular Weight1825.42 g/mol
Exact Mass1824.16
IUPAC NameN-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2=CC(NC(C)C)=NC2)c1.CC(C)NC1=NCC(C(=O)NC2CC[C@H](C)C2)=C1.CC(C)NC1=NCC(C(=O)Nc2ccc(C(C)C)cc2)=C1.CC(C)Nc1cc(C(=O)N2CCOCC2)[nH]n1.CCC(CC)NC(=O)c1cc(NC(C)C)n[nH]1.CCc1ccc(NC(=O)C2=CC(NC(C)C)=NC2)cc1.Cc1ccc(CC(=O)c2cc(NC(C)C)n[nH]2)cc1
InChIInChI=1S/C17H23N3O.C16H19N3O2.C16H21N3O.C15H19N3O.C14H23N3O.C12H22N4O.C11H18N4O2/c1-11(2)13-5-7-15(8-6-13)20-17(21)14-9-16(18-10-14)19-12(3)4;1-10(2)18-15-8-13(9-17-15)16(21)19-14-6-4-5-12(7-14)11(3)20;1-4-12-5-7-14(8-6-12)19-16(20)13-9-15(17-10-13)18-11(2)3;1-10(2)16-15-9-13(17-18-15)14(19)8-12-6-4-11(3)5-7-12;1-9(2)16-13-7-11(8-15-13)14(18)17-12-5-4-10(3)6-12;1-5-9(6-2)14-12(17)10-7-11(16-15-10)13-8(3)4;1-8(2)12-10-7-9(13-14-10)11(16)15-3-5-17-6-4-15/h5-9,11-12H,10H2,1-4H3,(H,18,19)(H,20,21);4-8,10H,9H2,1-3H3,(H,17,18)(H,19,21);5-9,11H,4,10H2,1-3H3,(H,17,18)(H,19,20);4-7,9-10H,8H2,1-3H3,(H2,16,17,18);7,9-10,12H,4-6,8H2,1-3H3,(H,15,16)(H,17,18);7-9H,5-6H2,1-4H3,(H,14,17)(H2,13,15,16);7-8H,3-6H2,1-2H3,(H2,12,13,14)/t;;;;10-,12?;;/m....0../s1
InChIKeyJBUAWBNADFOXRW-MFYINWHQSA-N
XLogP15.22
TPSA428.87 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001825.42
LogP ≤ 515.22
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Analyze N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N'-[3-[1-[3-[4-[(2R)-1-[[5-[1-(3-benzoylphenyl)ethyl]-1H-pyrazol-3-yl]amino]propan-2-yl]benzoyl]phenyl]ethyl]-1-methylpyrazol-5-yl]morpholine-4-carboximidamide
CID 142039341
5-[[4-(isocyanomethyl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 161436489
N-[(2S)-butan-2-yl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;1-cyclohexyl-3-[5-(propan-2-ylamino)-2H-pyrrol-3-yl]urea;1-(2-fluoro-6-methylphenyl)-3-[5-(propan-2-ylamino)-2H-pyrrol-3-yl]urea;N-[(2R)-2-hydroxypropyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-[(3R)-3-methylcyclopentyl]-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;1-(2-methylphenyl)-3-[5-(propan-2-ylamino)-2H-pyrrol-3-yl]urea;1-phenyl-3-[5-(propan-2-ylamino)-2H-pyrrol-3-yl]urea;5-(propan-2-ylamino)-N-propyl-2H-pyrrole-3-carboxamide
CID 161581952

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide (CID 158870550) is N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide is CC(=O)c1cccc(NC(=O)C2=CC(NC(C)C)=NC2)c1.CC(C)NC1=NCC(C(=O)NC2CC[C@H](C)C2)=C1.CC(C)NC1=NCC(C(=O)Nc2ccc(C(C)C)cc2)=C1.CC(C)Nc1cc(C(=O)N2CCOCC2)[nH]n1.CCC(CC)NC(=O)c1cc(NC(C)C)n[nH]1.CCc1ccc(NC(=O)C2=CC(NC(C)C)=NC2)cc1.Cc1ccc(CC(=O)c2cc(NC(C)C)n[nH]2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide?
The InChIKey is JBUAWBNADFOXRW-MFYINWHQSA-N. The full InChI is InChI=1S/C17H23N3O.C16H19N3O2.C16H21N3O.C15H19N3O.C14H23N3O.C12H22N4O.C11H18N4O2/c1-11(2)13-5-7-15(8-6-13)20-17(21)14-9-16(18-10-14)19-12(3)4;1-10(2)18-15-8-13(9-17-15)16(21)19-14-6-4-5-12(7-14)11(3)20;1-4-12-5-7-14(8-6-12)19-16(20)13-9-15(17-10-13)18-11(2)3;1-10(2)16-15-9-13(17-18-15)14(19)8-12-6-4-11(3)5-7-12;1-9(2)16-13-7-11(8-15-13)14(18)17-12-5-4-10(3)6-12;1-5-9(6-2)14-12(17)10-7-11(16-15-10)13-8(3)4;1-8(2)12-10-7-9(13-14-10)11(16)15-3-5-17-6-4-15/h5-9,11-12H,10H2,1-4H3,(H,18,19)(H,20,21);4-8,10H,9H2,1-3H3,(H,17,18)(H,19,21);5-9,11H,4,10H2,1-3H3,(H,17,18)(H,19,20);4-7,9-10H,8H2,1-3H3,(H2,16,17,18);7,9-10,12H,4-6,8H2,1-3H3,(H,15,16)(H,17,18);7-9H,5-6H2,1-4H3,(H,14,17)(H2,13,15,16);7-8H,3-6H2,1-2H3,(H2,12,13,14)/t;;;;10-,12?;;/m....0../s1.
What are the key properties of N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide?
N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide has a molecular weight of 1825.42 g/mol, XLogP of 15.22, 29 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-(4-ethylphenyl)-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;N-[(3S)-3-methylcyclopentyl]-5-(propan-2-ylamino)-2H-pyrrole-3-carboxamide;2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone;morpholin-4-yl-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]methanone;N-pentan-3-yl-3-(propan-2-ylamino)-1H-pyrazole-5-carboxamide;5-(propan-2-ylamino)-N-(4-propan-2-ylphenyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 158870550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).