[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine

C98H141Cl5N24O — CID 159932582

IUPAC[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
SMILESCC(C)CN1CCN(C2CCN(C3=NN=C(N)C3)CC2)C(Cc2ccc(Cl)cc2)C1.CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C3=NN=C(N)C3)CC2)C[C@@H]1CC1CCCCC1.CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C3=NN=C(N)C3)CC2)C[C@@H]1CO.CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C3=NN=C(N)C3)CC2)C[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C27H34Cl2N6.C27H41ClN6.C23H35ClN6.C21H31ClN6O/c1-33-17-25(15-20-4-8-22(29)9-5-20)35(18-24(33)14-19-2-6-21(28)7-3-19)23-10-12-34(13-11-23)27-16-26(30)31-32-27;1-32-18-25(16-21-7-9-22(28)10-8-21)34(19-24(32)15-20-5-3-2-4-6-20)23-11-13-33(14-12-23)27-17-26(29)30-31-27;1-17(2)15-28-11-12-30(21(16-28)13-18-3-5-19(24)6-4-18)20-7-9-29(10-8-20)23-14-22(25)26-27-23;1-26-12-18(10-15-2-4-16(22)5-3-15)28(13-19(26)14-29)17-6-8-27(9-7-17)21-11-20(23)24-25-21/h2-9,23-25H,10-18H2,1H3,(H2,30,31);7-10,20,23-25H,2-6,11-19H2,1H3,(H2,29,30);3-6,17,20-21H,7-16H2,1-2H3,(H2,25,26);2-5,17-19,29H,6-14H2,1H3,(H2,23,24)/t2*24-,25?;;18?,19-/m00.1/s1
InChIKeyNZVICVPPQILYOF-UGFIDUENSA-N
MW1848.64 g/mol
LogP13.14
Rot. Bonds19

About [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine

[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine (PubChem CID 159932582) has the molecular formula C98H141Cl5N24O and a molecular weight of 1848.64 g/mol. Its IUPAC name is [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine.

Molecular Properties

Compound Name[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
PubChem CID159932582
Molecular FormulaC98H141Cl5N24O
Molecular Weight1848.64 g/mol
Exact Mass1845.02
IUPAC Name[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
SMILESCC(C)CN1CCN(C2CCN(C3=NN=C(N)C3)CC2)C(Cc2ccc(Cl)cc2)C1.CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C3=NN=C(N)C3)CC2)C[C@@H]1CC1CCCCC1.CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C3=NN=C(N)C3)CC2)C[C@@H]1CO.CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C3=NN=C(N)C3)CC2)C[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C27H34Cl2N6.C27H41ClN6.C23H35ClN6.C21H31ClN6O/c1-33-17-25(15-20-4-8-22(29)9-5-20)35(18-24(33)14-19-2-6-21(28)7-3-19)23-10-12-34(13-11-23)27-16-26(30)31-32-27;1-32-18-25(16-21-7-9-22(28)10-8-21)34(19-24(32)15-20-5-3-2-4-6-20)23-11-13-33(14-12-23)27-17-26(29)30-31-27;1-17(2)15-28-11-12-30(21(16-28)13-18-3-5-19(24)6-4-18)20-7-9-29(10-8-20)23-14-22(25)26-27-23;1-26-12-18(10-15-2-4-16(22)5-3-15)28(13-19(26)14-29)17-6-8-27(9-7-17)21-11-20(23)24-25-21/h2-9,23-25H,10-18H2,1H3,(H2,30,31);7-10,20,23-25H,2-6,11-19H2,1H3,(H2,29,30);3-6,17,20-21H,7-16H2,1-2H3,(H2,25,26);2-5,17-19,29H,6-14H2,1H3,(H2,23,24)/t2*24-,25?;;18?,19-/m00.1/s1
InChIKeyNZVICVPPQILYOF-UGFIDUENSA-N
XLogP13.14
TPSA262.07 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001848.64
LogP ≤ 513.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[2-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157061141
1-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-6-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 161182588
[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol
CID 126642183
5-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157057863
5-[4-[(2R,5R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159429680
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
1-[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one
CID 148552003
[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol
CID 126668161
5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157284026
acetic acid;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-4,4-difluorobutan-1-one
CID 158383470
1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-4-ethylsulfonylbutan-1-one
CID 157154424
acetic acid;5-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159721797

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The IUPAC name of [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine (CID 159932582) is [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine.
What is the SMILES notation for [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The canonical SMILES for [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine is CC(C)CN1CCN(C2CCN(C3=NN=C(N)C3)CC2)C(Cc2ccc(Cl)cc2)C1.CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C3=NN=C(N)C3)CC2)C[C@@H]1CC1CCCCC1.CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C3=NN=C(N)C3)CC2)C[C@@H]1CO.CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C3=NN=C(N)C3)CC2)C[C@@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The InChIKey is NZVICVPPQILYOF-UGFIDUENSA-N. The full InChI is InChI=1S/C27H34Cl2N6.C27H41ClN6.C23H35ClN6.C21H31ClN6O/c1-33-17-25(15-20-4-8-22(29)9-5-20)35(18-24(33)14-19-2-6-21(28)7-3-19)23-10-12-34(13-11-23)27-16-26(30)31-32-27;1-32-18-25(16-21-7-9-22(28)10-8-21)34(19-24(32)15-20-5-3-2-4-6-20)23-11-13-33(14-12-23)27-17-26(29)30-31-27;1-17(2)15-28-11-12-30(21(16-28)13-18-3-5-19(24)6-4-18)20-7-9-29(10-8-20)23-14-22(25)26-27-23;1-26-12-18(10-15-2-4-16(22)5-3-15)28(13-19(26)14-29)17-6-8-27(9-7-17)21-11-20(23)24-25-21/h2-9,23-25H,10-18H2,1H3,(H2,30,31);7-10,20,23-25H,2-6,11-19H2,1H3,(H2,29,30);3-6,17,20-21H,7-16H2,1-2H3,(H2,25,26);2-5,17-19,29H,6-14H2,1H3,(H2,23,24)/t2*24-,25?;;18?,19-/m00.1/s1.
What are the key properties of [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine has a molecular weight of 1848.64 g/mol, XLogP of 13.14, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine is sourced from PubChem (CID 159932582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).