4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol

C107H122Cl5N23O — CID 161077928

IUPAC4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.CC(C)NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.CC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC(C)N1.CN(C)CC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.CN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/2C23H27ClN4.C22H26ClN5O.C20H22ClN5.C19H20ClN5/c1-15(2)26-20-9-5-18(6-10-20)23-21(16-11-13-25-14-12-16)22(27-28-23)17-3-7-19(24)8-4-17;1-28(2)15-16-3-5-18(6-4-16)22-21(17-11-13-25-14-12-17)23(27-26-22)19-7-9-20(24)10-8-19;1-22(2,29)13-28-11-8-16(9-12-28)21-19(18-7-10-24-14-25-18)20(26-27-21)15-3-5-17(23)6-4-15;1-13-11-26(12-14(2)23-13)20-18(15-7-9-22-10-8-15)19(24-25-20)16-3-5-17(21)6-4-16;1-25-10-7-14(8-11-25)19-17(16-6-9-21-12-22-16)18(23-24-19)13-2-4-15(20)5-3-13/h3-4,7-8,11-15,18,20,26H,5-6,9-10H2,1-2H3,(H,27,28);7-14,16,18H,3-6,15H2,1-2H3,(H,26,27);3-7,10,14,16,29H,8-9,11-13H2,1-2H3,(H,26,27);3-10,13-14,23H,11-12H2,1-2H3,(H,24,25);2-6,9,12,14H,7-8,10-11H2,1H3,(H,23,24)
InChIKeyUFNKYIHBLFATQC-UHFFFAOYSA-N
MW1923.58 g/mol
LogP23.56
Rot. Bonds21

About 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol

4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 161077928) has the molecular formula C107H122Cl5N23O and a molecular weight of 1923.58 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID161077928
Molecular FormulaC107H122Cl5N23O
Molecular Weight1923.58 g/mol
Exact Mass1919.86
IUPAC Name4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.CC(C)NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.CC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC(C)N1.CN(C)CC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.CN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/2C23H27ClN4.C22H26ClN5O.C20H22ClN5.C19H20ClN5/c1-15(2)26-20-9-5-18(6-10-20)23-21(16-11-13-25-14-12-16)22(27-28-23)17-3-7-19(24)8-4-17;1-28(2)15-16-3-5-18(6-4-16)22-21(17-11-13-25-14-12-17)23(27-26-22)19-7-9-20(24)10-8-19;1-22(2,29)13-28-11-8-16(9-12-28)21-19(18-7-10-24-14-25-18)20(26-27-21)15-3-5-17(23)6-4-15;1-13-11-26(12-14(2)23-13)20-18(15-7-9-22-10-8-15)19(24-25-20)16-3-5-17(21)6-4-16;1-25-10-7-14(8-11-25)19-17(16-6-9-21-12-22-16)18(23-24-19)13-2-4-15(20)5-3-13/h3-4,7-8,11-15,18,20,26H,5-6,9-10H2,1-2H3,(H,27,28);7-14,16,18H,3-6,15H2,1-2H3,(H,26,27);3-7,10,14,16,29H,8-9,11-13H2,1-2H3,(H,26,27);3-10,13-14,23H,11-12H2,1-2H3,(H,24,25);2-6,9,12,14H,7-8,10-11H2,1H3,(H,23,24)
InChIKeyUFNKYIHBLFATQC-UHFFFAOYSA-N
XLogP23.56
TPSA290.88 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001923.58
LogP ≤ 523.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;methane;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine
CID 158097967
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(4,5-dimethyl-6-phenyl-2-pyridinyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;molecular hydrogen
CID 158111940
1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine
CID 158481320
1-[4-[3-(3-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-5-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(5-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 158644925
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 159980404
(2R)-2-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-fluoro-3-methylbutan-2-ol;(1R)-1-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-1-ol;2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-1,1,1-trifluoropropan-2-ol;5-fluoro-2-[(3S)-3-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-3-carbonitrile
CID 160879643
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 160928133
(3S,4R)-1-[5-chloro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-amine;(3R,4S)-1-[5-chloro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-amine;3-[6-[3-(1,1-difluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-fluoropropan-2-yl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 161630526
bis(2-[4-[5-chloro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol);3-ethyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
CID 161792977
3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol
CID 162080601
[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanamine;[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol;[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanamine;[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol;methane
CID 157140656
2-[(4-chlorophenyl)-[1-[4-(1H-imidazol-5-yl)butyl]piperidin-4-ylidene]methyl]pyridine;2-[(4-chlorophenyl)-[1-[6-(1H-imidazol-5-yl)hexyl]piperidin-4-ylidene]methyl]pyridine;2-[(4-chlorophenyl)-[1-[5-(1H-imidazol-5-yl)pentyl]piperidin-4-ylidene]methyl]pyridine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine
CID 157147710

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol (CID 161077928) is 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.CC(C)NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.CC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC(C)N1.CN(C)CC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.CN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is UFNKYIHBLFATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H27ClN4.C22H26ClN5O.C20H22ClN5.C19H20ClN5/c1-15(2)26-20-9-5-18(6-10-20)23-21(16-11-13-25-14-12-16)22(27-28-23)17-3-7-19(24)8-4-17;1-28(2)15-16-3-5-18(6-4-16)22-21(17-11-13-25-14-12-17)23(27-26-22)19-7-9-20(24)10-8-19;1-22(2,29)13-28-11-8-16(9-12-28)21-19(18-7-10-24-14-25-18)20(26-27-21)15-3-5-17(23)6-4-15;1-13-11-26(12-14(2)23-13)20-18(15-7-9-22-10-8-15)19(24-25-20)16-3-5-17(21)6-4-16;1-25-10-7-14(8-11-25)19-17(16-6-9-21-12-22-16)18(23-24-19)13-2-4-15(20)5-3-13/h3-4,7-8,11-15,18,20,26H,5-6,9-10H2,1-2H3,(H,27,28);7-14,16,18H,3-6,15H2,1-2H3,(H,26,27);3-7,10,14,16,29H,8-9,11-13H2,1-2H3,(H,26,27);3-10,13-14,23H,11-12H2,1-2H3,(H,24,25);2-6,9,12,14H,7-8,10-11H2,1H3,(H,23,24).
What are the key properties of 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 1923.58 g/mol, XLogP of 23.56, 21 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethylpiperazine;4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 161077928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).