4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine

C98H138Cl5N29O — CID 161332620

IUPAC4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
SMILESCN1CCN(C2CCN(C3=NN=C(N)C3)CC2)C(Cc2ccc(Cl)cc2)C1.C[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)C(Cc2ccc(Cl)cc2)CN1C.NC1=NN=C(N2CCC(N3CC(=O)NCC3Cc3ccc(Cl)cc3)CC2)C1.NC1=NN=C(N2CCC(N3CCC[C@@H]3Cc3ccc(Cl)cc3)CC2)C1.NC1=NN=C(N2CCC(N3CCNCC3Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C21H31ClN6.C20H29ClN6.C19H25ClN6O.C19H27ClN6.C19H26ClN5/c1-15-13-28(18-7-9-27(10-8-18)21-12-20(23)24-25-21)19(14-26(15)2)11-16-3-5-17(22)6-4-16;1-25-10-11-27(18(14-25)12-15-2-4-16(21)5-3-15)17-6-8-26(9-7-17)20-13-19(22)23-24-20;20-14-3-1-13(2-4-14)9-16-11-22-19(27)12-26(16)15-5-7-25(8-6-15)18-10-17(21)23-24-18;20-15-3-1-14(2-4-15)11-17-13-22-7-10-26(17)16-5-8-25(9-6-16)19-12-18(21)23-24-19;20-15-5-3-14(4-6-15)12-17-2-1-9-25(17)16-7-10-24(11-8-16)19-13-18(21)22-23-19/h3-6,15,18-19H,7-14H2,1-2H3,(H2,23,24);2-5,17-18H,6-14H2,1H3,(H2,22,23);1-4,15-16H,5-12H2,(H2,21,23)(H,22,27);1-4,16-17,22H,5-13H2,(H2,21,23);3-6,16-17H,1-2,7-13H2,(H2,21,22)/t15-,19?;;;;17-/m0...1/s1
InChIKeyVLPVJKZZTURHHQ-LOKZGBMSSA-N
MW1915.65 g/mol
LogP10.27
Rot. Bonds15

About 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine

4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine (PubChem CID 161332620) has the molecular formula C98H138Cl5N29O and a molecular weight of 1915.65 g/mol. Its IUPAC name is 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
PubChem CID161332620
Molecular FormulaC98H138Cl5N29O
Molecular Weight1915.65 g/mol
Exact Mass1912.01
IUPAC Name4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
SMILESCN1CCN(C2CCN(C3=NN=C(N)C3)CC2)C(Cc2ccc(Cl)cc2)C1.C[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)C(Cc2ccc(Cl)cc2)CN1C.NC1=NN=C(N2CCC(N3CC(=O)NCC3Cc3ccc(Cl)cc3)CC2)C1.NC1=NN=C(N2CCC(N3CCC[C@@H]3Cc3ccc(Cl)cc3)CC2)C1.NC1=NN=C(N2CCC(N3CCNCC3Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C21H31ClN6.C20H29ClN6.C19H25ClN6O.C19H27ClN6.C19H26ClN5/c1-15-13-28(18-7-9-27(10-8-18)21-12-20(23)24-25-21)19(14-26(15)2)11-16-3-5-17(22)6-4-16;1-25-10-11-27(18(14-25)12-15-2-4-16(21)5-3-15)17-6-8-26(9-7-17)20-13-19(22)23-24-20;20-14-3-1-13(2-4-14)9-16-11-22-19(27)12-26(16)15-5-7-25(8-6-15)18-10-17(21)23-24-18;20-15-3-1-14(2-4-15)11-17-13-22-7-10-26(17)16-5-8-25(9-6-16)19-12-18(21)23-24-19;20-15-5-3-14(4-6-15)12-17-2-1-9-25(17)16-7-10-24(11-8-16)19-13-18(21)22-23-19/h3-6,15,18-19H,7-14H2,1-2H3,(H2,23,24);2-5,17-18H,6-14H2,1H3,(H2,22,23);1-4,15-16H,5-12H2,(H2,21,23)(H,22,27);1-4,16-17,22H,5-13H2,(H2,21,23);3-6,16-17H,1-2,7-13H2,(H2,21,22)/t15-,19?;;;;17-/m0...1/s1
InChIKeyVLPVJKZZTURHHQ-LOKZGBMSSA-N
XLogP10.27
TPSA333.71 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001915.65
LogP ≤ 510.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The IUPAC name of 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine (CID 161332620) is 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine.
What is the SMILES notation for 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The canonical SMILES for 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine is CN1CCN(C2CCN(C3=NN=C(N)C3)CC2)C(Cc2ccc(Cl)cc2)C1.C[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)C(Cc2ccc(Cl)cc2)CN1C.NC1=NN=C(N2CCC(N3CC(=O)NCC3Cc3ccc(Cl)cc3)CC2)C1.NC1=NN=C(N2CCC(N3CCC[C@@H]3Cc3ccc(Cl)cc3)CC2)C1.NC1=NN=C(N2CCC(N3CCNCC3Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The InChIKey is VLPVJKZZTURHHQ-LOKZGBMSSA-N. The full InChI is InChI=1S/C21H31ClN6.C20H29ClN6.C19H25ClN6O.C19H27ClN6.C19H26ClN5/c1-15-13-28(18-7-9-27(10-8-18)21-12-20(23)24-25-21)19(14-26(15)2)11-16-3-5-17(22)6-4-16;1-25-10-11-27(18(14-25)12-15-2-4-16(21)5-3-15)17-6-8-26(9-7-17)20-13-19(22)23-24-20;20-14-3-1-13(2-4-14)9-16-11-22-19(27)12-26(16)15-5-7-25(8-6-15)18-10-17(21)23-24-18;20-15-3-1-14(2-4-15)11-17-13-22-7-10-26(17)16-5-8-25(9-6-16)19-12-18(21)23-24-19;20-15-5-3-14(4-6-15)12-17-2-1-9-25(17)16-7-10-24(11-8-16)19-13-18(21)22-23-19/h3-6,15,18-19H,7-14H2,1-2H3,(H2,23,24);2-5,17-18H,6-14H2,1H3,(H2,22,23);1-4,15-16H,5-12H2,(H2,21,23)(H,22,27);1-4,16-17,22H,5-13H2,(H2,21,23);3-6,16-17H,1-2,7-13H2,(H2,21,22)/t15-,19?;;;;17-/m0...1/s1.
What are the key properties of 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine has a molecular weight of 1915.65 g/mol, XLogP of 10.27, 15 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]piperazin-2-one;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-4,5-dimethylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine is sourced from PubChem (CID 161332620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).