1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C116H134Cl3F3N22O12 — CID 159441885

IUPAC1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Cl)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(N4CCCC4)cc(C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cccc(Cl)c4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)n1
InChIInChI=1S/C26H35N5O2.2C23H23ClN4O3.C22H27ClN4O2.C22H26F3N5O2/c1-20-16-22(18-23(17-20)28-10-3-4-11-28)19-30-12-5-7-26(30)8-14-29(15-9-26)25(33)31-13-6-24(27-31)21(2)32;1-17(29)22-8-9-28(25-22)23(30)27-12-10-26(11-13-27)16-18-4-2-6-20(14-18)31-21-7-3-5-19(24)15-21;1-17(29)21-9-10-28(25-21)23(30)27-13-11-26(12-14-27)16-18-5-4-6-19(15-18)31-22-8-3-2-7-20(22)24;1-16-12-18(14-19(23)13-16)15-26-8-3-5-22(26)6-10-25(11-7-22)21(29)27-9-4-20(24-27)17(2)28;1-16(31)20-4-7-30(26-20)21(32)29-10-8-27(9-11-29)15-17-12-18(22(23,24)25)14-19(13-17)28-5-2-3-6-28/h6,13,16-18H,3-5,7-12,14-15,19H2,1-2H3;2-9,14-15H,10-13,16H2,1H3;2-10,15H,11-14,16H2,1H3;4,9,12-14H,3,5-8,10-11,15H2,1-2H3;4,7,12-14H,2-3,5-6,8-11,15H2,1H3
InChIKeyLSGUYUSGVCUCCJ-UHFFFAOYSA-N
MW2191.84 g/mol
LogP20.36
Rot. Bonds21

About 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 159441885) has the molecular formula C116H134Cl3F3N22O12 and a molecular weight of 2191.84 g/mol. Its IUPAC name is 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID159441885
Molecular FormulaC116H134Cl3F3N22O12
Molecular Weight2191.84 g/mol
Exact Mass2188.96
IUPAC Name1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Cl)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(N4CCCC4)cc(C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cccc(Cl)c4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)n1
InChIInChI=1S/C26H35N5O2.2C23H23ClN4O3.C22H27ClN4O2.C22H26F3N5O2/c1-20-16-22(18-23(17-20)28-10-3-4-11-28)19-30-12-5-7-26(30)8-14-29(15-9-26)25(33)31-13-6-24(27-31)21(2)32;1-17(29)22-8-9-28(25-22)23(30)27-12-10-26(11-13-27)16-18-4-2-6-20(14-18)31-21-7-3-5-19(24)15-21;1-17(29)21-9-10-28(25-21)23(30)27-13-11-26(12-14-27)16-18-5-4-6-19(15-18)31-22-8-3-2-7-20(22)24;1-16-12-18(14-19(23)13-16)15-26-8-3-5-22(26)6-10-25(11-7-22)21(29)27-9-4-20(24-27)17(2)28;1-16(31)20-4-7-30(26-20)21(32)29-10-8-27(9-11-29)15-17-12-18(22(23,24)25)14-19(13-17)28-5-2-3-6-28/h6,13,16-18H,3-5,7-12,14-15,19H2,1-2H3;2-9,14-15H,10-13,16H2,1H3;2-10,15H,11-14,16H2,1H3;4,9,12-14H,3,5-8,10-11,15H2,1-2H3;4,7,12-14H,2-3,5-6,8-11,15H2,1H3
InChIKeyLSGUYUSGVCUCCJ-UHFFFAOYSA-N
XLogP20.36
TPSA317.14 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.84
LogP ≤ 520.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 159441885) is 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Cl)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(N4CCCC4)cc(C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cccc(Cl)c4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)n1.
What is the InChIKey of 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is LSGUYUSGVCUCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2.2C23H23ClN4O3.C22H27ClN4O2.C22H26F3N5O2/c1-20-16-22(18-23(17-20)28-10-3-4-11-28)19-30-12-5-7-26(30)8-14-29(15-9-26)25(33)31-13-6-24(27-31)21(2)32;1-17(29)22-8-9-28(25-22)23(30)27-12-10-26(11-13-27)16-18-4-2-6-20(14-18)31-21-7-3-5-19(24)15-21;1-17(29)21-9-10-28(25-21)23(30)27-13-11-26(12-14-27)16-18-5-4-6-19(15-18)31-22-8-3-2-7-20(22)24;1-16-12-18(14-19(23)13-16)15-26-8-3-5-22(26)6-10-25(11-7-22)21(29)27-9-4-20(24-27)17(2)28;1-16(31)20-4-7-30(26-20)21(32)29-10-8-27(9-11-29)15-17-12-18(22(23,24)25)14-19(13-17)28-5-2-3-6-28/h6,13,16-18H,3-5,7-12,14-15,19H2,1-2H3;2-9,14-15H,10-13,16H2,1H3;2-10,15H,11-14,16H2,1H3;4,9,12-14H,3,5-8,10-11,15H2,1-2H3;4,7,12-14H,2-3,5-6,8-11,15H2,1H3.
What are the key properties of 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2191.84 g/mol, XLogP of 20.36, 21 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(3-chloro-5-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(3-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 159441885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).