[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone

C47H53Cl2N5O4S2 — CID 158420528

IUPAC[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(C2(C)CCCCC2)cc1CCc1ccc(Cl)s1.COc1ccccc1C(=O)n1nc(C2(C)CCCNC2)cc1CCc1ccc(Cl)s1
InChIInChI=1S/C24H27ClN2O2S.C23H26ClN3O2S/c1-24(14-6-3-7-15-24)21-16-17(10-11-18-12-13-22(25)30-18)27(26-21)23(28)19-8-4-5-9-20(19)29-2;1-23(12-5-13-25-15-23)20-14-16(8-9-17-10-11-21(24)30-17)27(26-20)22(28)18-6-3-4-7-19(18)29-2/h4-5,8-9,12-13,16H,3,6-7,10-11,14-15H2,1-2H3;3-4,6-7,10-11,14,25H,5,8-9,12-13,15H2,1-2H3
InChIKeyHAKYXDYMAJXTEY-UHFFFAOYSA-N
MW887.01 g/mol
LogP11.02
Rot. Bonds12

About [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone

[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 158420528) has the molecular formula C47H53Cl2N5O4S2 and a molecular weight of 887.01 g/mol. Its IUPAC name is [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone
PubChem CID158420528
Molecular FormulaC47H53Cl2N5O4S2
Molecular Weight887.01 g/mol
Exact Mass885.29
IUPAC Name[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(C2(C)CCCCC2)cc1CCc1ccc(Cl)s1.COc1ccccc1C(=O)n1nc(C2(C)CCCNC2)cc1CCc1ccc(Cl)s1
InChIInChI=1S/C24H27ClN2O2S.C23H26ClN3O2S/c1-24(14-6-3-7-15-24)21-16-17(10-11-18-12-13-22(25)30-18)27(26-21)23(28)19-8-4-5-9-20(19)29-2;1-23(12-5-13-25-15-23)20-14-16(8-9-17-10-11-21(24)30-17)27(26-20)22(28)18-6-3-4-7-19(18)29-2/h4-5,8-9,12-13,16H,3,6-7,10-11,14-15H2,1-2H3;3-4,6-7,10-11,14,25H,5,8-9,12-13,15H2,1-2H3
InChIKeyHAKYXDYMAJXTEY-UHFFFAOYSA-N
XLogP11.02
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500887.01
LogP ≤ 511.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[3-(azetidin-3-yl)-5-[2-(5-chlorothiophen-2-yl)ethyl]pyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 161445353
tert-butyl 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxybenzoyl)pyrazol-3-yl]azetidine-1-carboxylate
CID 159913767
tert-butyl 2-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxybenzoyl)pyrazol-3-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]pyrrolidine-1-carboxylate;2-methylbenzoic acid
CID 161085894
3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methyloxane-4-carbonyl)pyrazol-3-yl]-3-methylpyrrolidin-2-one
CID 158319508
[5-[(5-chlorothiophen-2-yl)methylamino]-3-(oxolan-2-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 122508911
[5-[(5-chlorothiophen-2-yl)methylamino]-3-piperidin-1-ium-4-ylpyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 152888843
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944666
[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-pyrrolidin-2-ylpyrazol-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 160950714
[5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone
CID 154029307
[5-[(5-chlorothiophen-2-yl)methylamino]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
CID 71543778
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-methoxybenzoyl)pyrazol-3-yl]-6-oxo-1H-pyridine-3-carbonitrile
CID 137002537
(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569471

Frequently Asked Questions

What is the IUPAC name of [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone (CID 158420528) is [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1nc(C2(C)CCCCC2)cc1CCc1ccc(Cl)s1.COc1ccccc1C(=O)n1nc(C2(C)CCCNC2)cc1CCc1ccc(Cl)s1.
What is the InChIKey of [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is HAKYXDYMAJXTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2S.C23H26ClN3O2S/c1-24(14-6-3-7-15-24)21-16-17(10-11-18-12-13-22(25)30-18)27(26-21)23(28)19-8-4-5-9-20(19)29-2;1-23(12-5-13-25-15-23)20-14-16(8-9-17-10-11-21(24)30-17)27(26-20)22(28)18-6-3-4-7-19(18)29-2/h4-5,8-9,12-13,16H,3,6-7,10-11,14-15H2,1-2H3;3-4,6-7,10-11,14,25H,5,8-9,12-13,15H2,1-2H3.
What are the key properties of [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone?
[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 887.01 g/mol, XLogP of 11.02, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylcyclohexyl)pyrazol-1-yl]-(2-methoxyphenyl)methanone;[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylpiperidin-3-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 158420528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).