5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene

C173H240ClN31O3 — CID 158274967

About 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene

5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene (PubChem CID 158274967) has the molecular formula C173H240ClN31O3 and a molecular weight of 2837.49 g/mol. Its IUPAC name is 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene
• PubChem CID: 158274967
• Molecular Formula: C173H240ClN31O3
• Molecular Weight: 2837.49 g/mol
• Exact Mass: 2834.93
• IUPAC Name: 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene
• SMILES: CCN1CCC2(CC1)C(=O)Cc1c2ccc(C)c1C.CCN1CCc2nc(C)c(C)cc2C1.CCN1Cc2cc(C)c(C)nc2C1.Cc1cc2c(nc1C)CCNC2.Cc1cc2c(nc1C)CNC2.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2c(c1C)CC(=O)C21CCN(C)CC1.Cc1ccc2c(c1C)CC(=O)C21CCNCC1.Cc1cccc(C)c1.Cc1ccn(C)n1.Cc1ccnc(C)c1.Cc1cn(C)nc1C.Cc1cn(C)nc1C#N.Cc1cncc(C)c1.Cc1cncc(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1C.Cc1cnn(C)c1Cl.Cc1nn(C)c(C)c1C
• InChI: InChI=1S/C17H23NO.C16H21NO.C15H19NO.C12H18N2.C11H16N2.C10H14N2.C9H12N2.2C8H10.C7H12N2.3C7H9N.C6H7N3.2C6H10N2.C6H8N2.C5H7ClN2.2C5H8N2/c1-4-18-9-7-17(8-10-18)15-6-5-12(2)13(3)14(15)11-16(17)19;1-11-4-5-14-13(12(11)2)10-15(18)16(14)6-8-17(3)9-7-16;1-10-3-4-13-12(11(10)2)9-14(17)15(13)5-7-16-8-6-15;1-4-14-6-5-12-11(8-14)7-9(2)10(3)13-12;1-4-13-6-10-5-8(2)9(3)12-11(10)7-13;1-7-5-9-6-11-4-3-10(9)12-8(7)2;1-6-3-8-4-10-5-9(8)11-7(6)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-6(2)8-9(4)7(5)3;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-5-4-9(2)8-6(5)3-7;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-5-3-7-4-6(2)8-5;1-4-3-7-8(2)5(4)6;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5/h5-6H,4,7-11H2,1-3H3;4-5H,6-10H2,1-3H3;3-4,16H,5-9H2,1-2H3;7H,4-6,8H2,1-3H3;5H,4,6-7H2,1-3H3;5,11H,3-4,6H2,1-2H3;3,10H,4-5H2,1-2H3;2*3-6H,1-2H3;1-4H3;3*3-5H,1-2H3;4H,1-2H3;2*4H,1-3H3;3-4H,1-2H3;3H,1-2H3;2*3-4H,1-2H3
• InChIKey: GJMNMKXQECKOSU-UHFFFAOYSA-N
• XLogP: 31.63
• TPSA: 364.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 3
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2837.49
LogP ≤ 5	31.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene?

The IUPAC name of 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene (CID 158274967) is 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene.

What is the SMILES notation for 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene?

The canonical SMILES for 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene is CCN1CCC2(CC1)C(=O)Cc1c2ccc(C)c1C.CCN1CCc2nc(C)c(C)cc2C1.CCN1Cc2cc(C)c(C)nc2C1.Cc1cc2c(nc1C)CCNC2.Cc1cc2c(nc1C)CNC2.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2c(c1C)CC(=O)C21CCN(C)CC1.Cc1ccc2c(c1C)CC(=O)C21CCNCC1.Cc1cccc(C)c1.Cc1ccn(C)n1.Cc1ccnc(C)c1.Cc1cn(C)nc1C.Cc1cn(C)nc1C#N.Cc1cncc(C)c1.Cc1cncc(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1C.Cc1cnn(C)c1Cl.Cc1nn(C)c(C)c1C.

What is the InChIKey of 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene?

The InChIKey is GJMNMKXQECKOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO.C16H21NO.C15H19NO.C12H18N2.C11H16N2.C10H14N2.C9H12N2.2C8H10.C7H12N2.3C7H9N.C6H7N3.2C6H10N2.C6H8N2.C5H7ClN2.2C5H8N2/c1-4-18-9-7-17(8-10-18)15-6-5-12(2)13(3)14(15)11-16(17)19;1-11-4-5-14-13(12(11)2)10-15(18)16(14)6-8-17(3)9-7-16;1-10-3-4-13-12(11(10)2)9-14(17)15(13)5-7-16-8-6-15;1-4-14-6-5-12-11(8-14)7-9(2)10(3)13-12;1-4-13-6-10-5-8(2)9(3)12-11(10)7-13;1-7-5-9-6-11-4-3-10(9)12-8(7)2;1-6-3-8-4-10-5-9(8)11-7(6)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-6(2)8-9(4)7(5)3;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-5-4-9(2)8-6(5)3-7;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-5-3-7-4-6(2)8-5;1-4-3-7-8(2)5(4)6;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5/h5-6H,4,7-11H2,1-3H3;4-5H,6-10H2,1-3H3;3-4,16H,5-9H2,1-2H3;7H,4-6,8H2,1-3H3;5H,4,6-7H2,1-3H3;5,11H,3-4,6H2,1-2H3;3,10H,4-5H2,1-2H3;2*3-6H,1-2H3;1-4H3;3*3-5H,1-2H3;4H,1-2H3;2*4H,1-3H3;3-4H,1-2H3;3H,1-2H3;2*3-4H,1-2H3.

What are the key properties of 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene?

5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene has a molecular weight of 2837.49 g/mol, XLogP of 31.63, 3 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1,4-dimethylpyrazole;2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2,6-dimethylpyrazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyrazole-3-carbonitrile;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;2,3-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-ethyl-2,3-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;6-ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine;1'-ethyl-6,7-dimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3,4,5-tetramethylpyrazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1',6,7-trimethylspiro[1H-indene-3,4'-piperidine]-2-one;1,3-xylene;1,4-xylene is sourced from PubChem (CID 158274967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).