N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

C100H174N24O3 — CID 158933457

About N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 158933457) has the molecular formula C100H174N24O3 and a molecular weight of 1760.66 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

• Compound Name: N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
• PubChem CID: 158933457
• Molecular Formula: C100H174N24O3
• Molecular Weight: 1760.66 g/mol
• Exact Mass: 1759.42
• IUPAC Name: N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
• SMILES: CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CCN/C(=N\CCCN(C)C)n1nc(C)c(C(C)C)c1C.CCc1nn(C)c(C)c1C(C)C.Cc1[nH]nc(CN2CCCC2)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncccc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(CC(=O)O)c(C)c1C(C)C.Cc1nn(CCN2CCOCC2)c(C)c1C(C)C
• InChI: InChI=1S/C16H31N5.C14H25N3O.C12H21N3.C10H16N2O2.C10H18N2.C9H16N2.C9H13N.C8H14N2.2C6H10N2/c1-8-17-16(18-10-9-11-20(6)7)21-14(5)15(12(2)3)13(4)19-21;1-11(2)14-12(3)15-17(13(14)4)6-5-16-7-9-18-10-8-16;1-9(2)12-10(3)13-14-11(12)8-15-6-4-5-7-15;1-6(2)10-7(3)11-12(8(10)4)5-9(13)14;1-6-9-10(7(2)3)8(4)12(5)11-9;1-6(2)9-7(3)10-11(5)8(9)4;1-7(2)9-5-4-6-10-8(9)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h12H,8-11H2,1-7H3,(H,17,18);11H,5-10H2,1-4H3;9H,4-8H2,1-3H3,(H,13,14);6H,5H2,1-4H3,(H,13,14);7H,6H2,1-5H3;6H,1-5H3;4-7H,1-3H3;5H,1-4H3,(H,9,10);2*3-5H,1-2H3,(H,7,8)
• InChIKey: JJIWXJJHWVBJCZ-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 297.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1760.66
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

The IUPAC name of N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 158933457) is N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

The canonical SMILES for N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CCN/C(=N\CCCN(C)C)n1nc(C)c(C(C)C)c1C.CCc1nn(C)c(C)c1C(C)C.Cc1[nH]nc(CN2CCCC2)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncccc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(CC(=O)O)c(C)c1C(C)C.Cc1nn(CCN2CCOCC2)c(C)c1C(C)C.

What is the InChIKey of N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

The InChIKey is JJIWXJJHWVBJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5.C14H25N3O.C12H21N3.C10H16N2O2.C10H18N2.C9H16N2.C9H13N.C8H14N2.2C6H10N2/c1-8-17-16(18-10-9-11-20(6)7)21-14(5)15(12(2)3)13(4)19-21;1-11(2)14-12(3)15-17(13(14)4)6-5-16-7-9-18-10-8-16;1-9(2)12-10(3)13-14-11(12)8-15-6-4-5-7-15;1-6(2)10-7(3)11-12(8(10)4)5-9(13)14;1-6-9-10(7(2)3)8(4)12(5)11-9;1-6(2)9-7(3)10-11(5)8(9)4;1-7(2)9-5-4-6-10-8(9)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h12H,8-11H2,1-7H3,(H,17,18);11H,5-10H2,1-4H3;9H,4-8H2,1-3H3,(H,13,14);6H,5H2,1-4H3,(H,13,14);7H,6H2,1-5H3;6H,1-5H3;4-7H,1-3H3;5H,1-4H3,(H,9,10);2*3-5H,1-2H3,(H,7,8).

What are the key properties of N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 1760.66 g/mol, XLogP of 20.79, 23 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-(dimethylamino)propyl]-N-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole-1-carboximidamide;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetic acid;4-[2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-ethyl-1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;5-methyl-4-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 158933457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).