[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

C82H102Cl4N22O2 — CID 157140656

IUPAC[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
SMILESC.C.C.C.CN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1CN.CN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1CO.NCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1.OCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1
InChIInChI=1S/C20H23ClN6.C20H22ClN5O.C19H21ClN6.C19H20ClN5O.4CH4/c1-26-10-11-27(13-17(26)12-22)20-18(14-6-8-23-9-7-14)19(24-25-20)15-2-4-16(21)5-3-15;1-25-10-11-26(12-17(25)13-27)20-18(14-6-8-22-9-7-14)19(23-24-20)15-2-4-16(21)5-3-15;20-15-3-1-14(2-4-15)18-17(13-5-7-22-8-6-13)19(25-24-18)26-10-9-23-16(11-21)12-26;20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(24-23-18)25-10-9-22-16(11-25)12-26;;;;/h2-9,17H,10-13,22H2,1H3,(H,24,25);2-9,17,27H,10-13H2,1H3,(H,23,24);1-8,16,23H,9-12,21H2,(H,24,25);1-8,16,22,26H,9-12H2,(H,23,24);4*1H4
InChIKeyAKDMQWUQHCBATL-UHFFFAOYSA-N
MW1569.68 g/mol
LogP13.41
Rot. Bonds16

About [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

[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 (PubChem CID 157140656) has the molecular formula C82H102Cl4N22O2 and a molecular weight of 1569.68 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID157140656
Molecular FormulaC82H102Cl4N22O2
Molecular Weight1569.68 g/mol
Exact Mass1566.73
IUPAC Name[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
SMILESC.C.C.C.CN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1CN.CN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1CO.NCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1.OCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1
InChIInChI=1S/C20H23ClN6.C20H22ClN5O.C19H21ClN6.C19H20ClN5O.4CH4/c1-26-10-11-27(13-17(26)12-22)20-18(14-6-8-23-9-7-14)19(24-25-20)15-2-4-16(21)5-3-15;1-25-10-11-26(12-17(25)13-27)20-18(14-6-8-22-9-7-14)19(23-24-20)15-2-4-16(21)5-3-15;20-15-3-1-14(2-4-15)18-17(13-5-7-22-8-6-13)19(25-24-18)26-10-9-23-16(11-21)12-26;20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(24-23-18)25-10-9-22-16(11-25)12-26;;;;/h2-9,17H,10-13,22H2,1H3,(H,24,25);2-9,17,27H,10-13H2,1H3,(H,23,24);1-8,16,23H,9-12,21H2,(H,24,25);1-8,16,22,26H,9-12H2,(H,23,24);4*1H4
InChIKeyAKDMQWUQHCBATL-UHFFFAOYSA-N
XLogP13.41
TPSA302.28 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001569.68
LogP ≤ 513.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol
CID 22037343
[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol
CID 22037645
[1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol
CID 57180253
N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine
CID 157155786
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine
CID 157198120
N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane
CID 157246273
3-[5-chloro-3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol;3-[3,5-difluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol
CID 157277270
5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 157365716
bis(4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-ethylpyrimidine);1-[2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]piperazine;2-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine;methane
CID 157452173
bis(4-[5-(1-butan-2-ylpiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine);4-[5-(1-tert-butylpiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;methane;dihydrochloride
CID 157519016
1-[4-(6-Chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 157627159
4-chloro-1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(1-methylpyrrol-2-yl)-5-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-c]pyridazine;4-chloro-3-(1-methylpyrrol-2-yl)-5-phenyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-c]pyridazine
CID 157634202

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C.C.C.C.CN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1CN.CN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1CO.NCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1.OCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1.
What is the InChIKey of [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?
The InChIKey is AKDMQWUQHCBATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6.C20H22ClN5O.C19H21ClN6.C19H20ClN5O.4CH4/c1-26-10-11-27(13-17(26)12-22)20-18(14-6-8-23-9-7-14)19(24-25-20)15-2-4-16(21)5-3-15;1-25-10-11-26(12-17(25)13-27)20-18(14-6-8-22-9-7-14)19(23-24-20)15-2-4-16(21)5-3-15;20-15-3-1-14(2-4-15)18-17(13-5-7-22-8-6-13)19(25-24-18)26-10-9-23-16(11-21)12-26;20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(24-23-18)25-10-9-22-16(11-25)12-26;;;;/h2-9,17H,10-13,22H2,1H3,(H,24,25);2-9,17,27H,10-13H2,1H3,(H,23,24);1-8,16,23H,9-12,21H2,(H,24,25);1-8,16,22,26H,9-12H2,(H,23,24);4*1H4.
What are the key properties of [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?
[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 has a molecular weight of 1569.68 g/mol, XLogP of 13.41, 16 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 157140656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).