2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride

C100H141Cl4N23O9 — CID 161107200

About 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride

2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (PubChem CID 161107200) has the molecular formula C100H141Cl4N23O9 and a molecular weight of 1951.19 g/mol. Its IUPAC name is 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• PubChem CID: 161107200
• Molecular Formula: C100H141Cl4N23O9
• Molecular Weight: 1951.19 g/mol
• Exact Mass: 1948.00
• IUPAC Name: 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• SMILES: C.C.C.C=CC(=O)Cl.C=CC(=O)Nc1cccc(CNc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)c1.CC(C)(C)OC(=O)Nc1cccc(CN)c1.CCc1cnn2c(Cl)cc(Cl)nc12.CCc1cnn2c(NCc3cccc(N)c3)cc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)cc(Cl)nc12.OCC[C@@H]1CCCCN1
• InChI: InChI=1S/C25H32N6O2.C22H30N6O.C20H24ClN5O2.C12H18N2O2.C8H7Cl2N3.C7H15NO.C3H3ClO.3CH4/c1-3-19-17-27-31-22(26-16-18-8-7-9-20(14-18)28-24(33)4-2)15-23(29-25(19)31)30-12-6-5-10-21(30)11-13-32;1-2-17-15-25-28-20(24-14-16-6-5-7-18(23)12-16)13-21(26-22(17)28)27-10-4-3-8-19(27)9-11-29;1-5-14-12-23-26-17(10-16(21)25-18(14)26)22-11-13-7-6-8-15(9-13)24-19(27)28-20(2,3)4;1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13;1-2-5-4-11-13-7(10)3-6(9)12-8(5)13;9-6-4-7-3-1-2-5-8-7;1-2-3(4)5;;;/h4,7-9,14-15,17,21,26,32H,2-3,5-6,10-13,16H2,1H3,(H,28,33);5-7,12-13,15,19,24,29H,2-4,8-11,14,23H2,1H3;6-10,12,22H,5,11H2,1-4H3,(H,24,27);4-7H,8,13H2,1-3H3,(H,14,15);3-4H,2H2,1H3;7-9H,1-6H2;2H,1H2;3*1H4/t21-;19-;;;;7-;;;;/m00...0..../s1
• InChIKey: UJFDIKMNGCQDND-CQFZDAGBSA-N
• XLogP: 20.35
• TPSA: 410.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.19
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The IUPAC name of 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (CID 161107200) is 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

What is the SMILES notation for 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The canonical SMILES for 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is C.C.C.C=CC(=O)Cl.C=CC(=O)Nc1cccc(CNc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)c1.CC(C)(C)OC(=O)Nc1cccc(CN)c1.CCc1cnn2c(Cl)cc(Cl)nc12.CCc1cnn2c(NCc3cccc(N)c3)cc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)cc(Cl)nc12.OCC[C@@H]1CCCCN1.

What is the InChIKey of 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The InChIKey is UJFDIKMNGCQDND-CQFZDAGBSA-N. The full InChI is InChI=1S/C25H32N6O2.C22H30N6O.C20H24ClN5O2.C12H18N2O2.C8H7Cl2N3.C7H15NO.C3H3ClO.3CH4/c1-3-19-17-27-31-22(26-16-18-8-7-9-20(14-18)28-24(33)4-2)15-23(29-25(19)31)30-12-6-5-10-21(30)11-13-32;1-2-17-15-25-28-20(24-14-16-6-5-7-18(23)12-16)13-21(26-22(17)28)27-10-4-3-8-19(27)9-11-29;1-5-14-12-23-26-17(10-16(21)25-18(14)26)22-11-13-7-6-8-15(9-13)24-19(27)28-20(2,3)4;1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13;1-2-5-4-11-13-7(10)3-6(9)12-8(5)13;9-6-4-7-3-1-2-5-8-7;1-2-3(4)5;;;/h4,7-9,14-15,17,21,26,32H,2-3,5-6,10-13,16H2,1H3,(H,28,33);5-7,12-13,15,19,24,29H,2-4,8-11,14,23H2,1H3;6-10,12,22H,5,11H2,1-4H3,(H,24,27);4-7H,8,13H2,1-3H3,(H,14,15);3-4H,2H2,1H3;7-9H,1-6H2;2H,1H2;3*1H4/t21-;19-;;;;7-;;;;/m00...0..../s1.

What are the key properties of 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride has a molecular weight of 1951.19 g/mol, XLogP of 20.35, 27 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is sourced from PubChem (CID 161107200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).