N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone)

C145H185Cl2N31O12 — CID 160789491

About N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone)

N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone) (PubChem CID 160789491) has the molecular formula C145H185Cl2N31O12 and a molecular weight of 2625.19 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone).

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone)
• PubChem CID: 160789491
• Molecular Formula: C145H185Cl2N31O12
• Molecular Weight: 2625.19 g/mol
• Exact Mass: 2622.42
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone)
• SMILES: CCN(Cc1ccc(C)cc1)C(=O)n1cc(C)cn1.CCN(Cc1ccc(Cl)cc1)C(=O)n1cc(C)cn1.CCN(Cc1ccc(OC)cc1)C(=O)n1cc(C)cn1.CCN(Cc1cccc(OC)c1)C(=O)n1cc(C)cn1.CCN(Cc1ccccc1C)C(=O)n1cc(C)cn1.CCN(Cc1ccccc1Cl)C(=O)n1cc(C)cn1.CCN(Cc1ccccc1OC)C(=O)n1cc(C)cn1.Cc1ccc(CN2CCN(C(=O)n3cc(C)cn3)CC2)c(N2CCCC2)c1.Cc1ccc(CN2CCN(C(=O)n3cc(C)cn3)CC2)c(N2CCCC2)c1
• InChI: InChI=1S/2C21H29N5O.3C15H19N3O2.2C15H19N3O.2C14H16ClN3O/c2*1-17-5-6-19(20(13-17)24-7-3-4-8-24)16-23-9-11-25(12-10-23)21(27)26-15-18(2)14-22-26;1-4-17(15(19)18-10-12(2)9-16-18)11-13-5-7-14(20-3)8-6-13;1-4-17(15(19)18-10-12(2)9-16-18)11-13-6-5-7-14(8-13)20-3;1-4-17(15(19)18-10-12(2)9-16-18)11-13-7-5-6-8-14(13)20-3;1-4-17(11-14-7-5-12(2)6-8-14)15(19)18-10-13(3)9-16-18;1-4-17(11-14-8-6-5-7-13(14)3)15(19)18-10-12(2)9-16-18;1-3-17(10-12-4-6-13(15)7-5-12)14(19)18-9-11(2)8-16-18;1-3-17(10-12-6-4-5-7-13(12)15)14(19)18-9-11(2)8-16-18/h2*5-6,13-15H,3-4,7-12,16H2,1-2H3;3*5-10H,4,11H2,1-3H3;2*5-10H,4,11H2,1-3H3;2*4-9H,3,10H2,1-2H3
• InChIKey: SBQMVNRBNQTCPN-UHFFFAOYSA-N
• XLogP: 26.49
• TPSA: 383.82 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2625.19
LogP ≤ 5	26.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone)?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone) (CID 160789491) is N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone).

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone)?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone) is CCN(Cc1ccc(C)cc1)C(=O)n1cc(C)cn1.CCN(Cc1ccc(Cl)cc1)C(=O)n1cc(C)cn1.CCN(Cc1ccc(OC)cc1)C(=O)n1cc(C)cn1.CCN(Cc1cccc(OC)c1)C(=O)n1cc(C)cn1.CCN(Cc1ccccc1C)C(=O)n1cc(C)cn1.CCN(Cc1ccccc1Cl)C(=O)n1cc(C)cn1.CCN(Cc1ccccc1OC)C(=O)n1cc(C)cn1.Cc1ccc(CN2CCN(C(=O)n3cc(C)cn3)CC2)c(N2CCCC2)c1.Cc1ccc(CN2CCN(C(=O)n3cc(C)cn3)CC2)c(N2CCCC2)c1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone)?

The InChIKey is SBQMVNRBNQTCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H29N5O.3C15H19N3O2.2C15H19N3O.2C14H16ClN3O/c2*1-17-5-6-19(20(13-17)24-7-3-4-8-24)16-23-9-11-25(12-10-23)21(27)26-15-18(2)14-22-26;1-4-17(15(19)18-10-12(2)9-16-18)11-13-5-7-14(20-3)8-6-13;1-4-17(15(19)18-10-12(2)9-16-18)11-13-6-5-7-14(8-13)20-3;1-4-17(15(19)18-10-12(2)9-16-18)11-13-7-5-6-8-14(13)20-3;1-4-17(11-14-7-5-12(2)6-8-14)15(19)18-10-13(3)9-16-18;1-4-17(11-14-8-6-5-7-13(14)3)15(19)18-10-12(2)9-16-18;1-3-17(10-12-4-6-13(15)7-5-12)14(19)18-9-11(2)8-16-18;1-3-17(10-12-6-4-5-7-13(12)15)14(19)18-9-11(2)8-16-18/h2*5-6,13-15H,3-4,7-12,16H2,1-2H3;3*5-10H,4,11H2,1-3H3;2*5-10H,4,11H2,1-3H3;2*4-9H,3,10H2,1-2H3.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone)?

N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone) has a molecular weight of 2625.19 g/mol, XLogP of 26.49, 30 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(3-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylpyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide;N-ethyl-4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide;bis((4-methylpyrazol-1-yl)-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone) is sourced from PubChem (CID 160789491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).