1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen

C130H198F3N17O10 — CID 167643620

About 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen

1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen (PubChem CID 167643620) has the molecular formula C130H198F3N17O10 and a molecular weight of 2216.12 g/mol. Its IUPAC name is 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen.

Molecular Properties

• Compound Name: 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen
• PubChem CID: 167643620
• Molecular Formula: C130H198F3N17O10
• Molecular Weight: 2216.12 g/mol
• Exact Mass: 2214.55
• IUPAC Name: 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen
• SMILES: C=C(CCC1CCCC1)C(C)C.C=C(CCCn1cccn1)C(C)C.C=C(CCc1cc(C)nn1C)C(C)C.C=C(Cc1cn2ccccc2n1)C(C)C.CC(C)C(=O)CCC1CC1.CC(C)C(=O)CCc1ccccc1C(F)(F)F.CC(C)C(=O)CCc1ccco1.CC(C)C(=O)NCc1ccncc1.CC(C)C(=O)NCc1cnccn1.CC(C)C(=O)OCc1ccnn1C.CC(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C.CC(C)C(=O)[C@H]1C[C@@H]1c1ccnn1C.[H][H].[H][H]
• InChI: InChI=1S/C13H15F3O.C13H16N2.C12H20N2.C12H22.2C11H16N2O.C11H18N2.C10H14N2O.C10H14O2.C9H13N3O.C9H14N2O2.C9H16O.2H2/c1-9(2)12(17)8-7-10-5-3-4-6-11(10)13(14,15)16;1-10(2)11(3)8-12-9-15-7-5-4-6-13(15)14-12;1-9(2)10(3)6-7-12-8-11(4)13-14(12)5;1-10(2)11(3)8-9-12-6-4-5-7-12;2*1-7(2)11(14)9-6-8(9)10-4-5-12-13(10)3;1-10(2)11(3)6-4-8-13-9-5-7-12-13;1-8(2)10(13)12-7-9-3-5-11-6-4-9;1-8(2)10(11)6-5-9-4-3-7-12-9;1-7(2)9(13)12-6-8-5-10-3-4-11-8;1-7(2)9(12)13-6-8-4-5-10-11(8)3;1-7(2)9(10)6-5-8-3-4-8;;/h3-6,9H,7-8H2,1-2H3;4-7,9-10H,3,8H2,1-2H3;8-9H,3,6-7H2,1-2,4-5H3;10,12H,3-9H2,1-2H3;2*4-5,7-9H,6H2,1-3H3;5,7,9-10H,3-4,6,8H2,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);4-5,7H,6H2,1-3H3;7-8H,3-6H2,1-2H3;2*1H/t;;;;2*8-,9-;;;;;;;;/m....10......../s1
• InChIKey: PNGMDETXFZINGC-LBUHMAFZSA-N
• XLogP: 28.92
• TPSA: 328.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 43
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.12
LogP ≤ 5	28.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen?

The IUPAC name of 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen (CID 167643620) is 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen.

What is the SMILES notation for 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen?

The canonical SMILES for 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen is C=C(CCC1CCCC1)C(C)C.C=C(CCCn1cccn1)C(C)C.C=C(CCc1cc(C)nn1C)C(C)C.C=C(Cc1cn2ccccc2n1)C(C)C.CC(C)C(=O)CCC1CC1.CC(C)C(=O)CCc1ccccc1C(F)(F)F.CC(C)C(=O)CCc1ccco1.CC(C)C(=O)NCc1ccncc1.CC(C)C(=O)NCc1cnccn1.CC(C)C(=O)OCc1ccnn1C.CC(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C.CC(C)C(=O)[C@H]1C[C@@H]1c1ccnn1C.[H][H].[H][H].

What is the InChIKey of 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen?

The InChIKey is PNGMDETXFZINGC-LBUHMAFZSA-N. The full InChI is InChI=1S/C13H15F3O.C13H16N2.C12H20N2.C12H22.2C11H16N2O.C11H18N2.C10H14N2O.C10H14O2.C9H13N3O.C9H14N2O2.C9H16O.2H2/c1-9(2)12(17)8-7-10-5-3-4-6-11(10)13(14,15)16;1-10(2)11(3)8-12-9-15-7-5-4-6-13(15)14-12;1-9(2)10(3)6-7-12-8-11(4)13-14(12)5;1-10(2)11(3)8-9-12-6-4-5-7-12;2*1-7(2)11(14)9-6-8(9)10-4-5-12-13(10)3;1-10(2)11(3)6-4-8-13-9-5-7-12-13;1-8(2)10(13)12-7-9-3-5-11-6-4-9;1-8(2)10(11)6-5-9-4-3-7-12-9;1-7(2)9(13)12-6-8-5-10-3-4-11-8;1-7(2)9(12)13-6-8-4-5-10-11(8)3;1-7(2)9(10)6-5-8-3-4-8;;/h3-6,9H,7-8H2,1-2H3;4-7,9-10H,3,8H2,1-2H3;8-9H,3,6-7H2,1-2,4-5H3;10,12H,3-9H2,1-2H3;2*4-5,7-9H,6H2,1-3H3;5,7,9-10H,3-4,6,8H2,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);4-5,7H,6H2,1-3H3;7-8H,3-6H2,1-2H3;2*1H/t;;;;2*8-,9-;;;;;;;;/m....10......../s1.

What are the key properties of 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen?

1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen has a molecular weight of 2216.12 g/mol, XLogP of 28.92, 43 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)imidazo[1,2-a]pyridine;1-(5-methyl-4-methylidenehexyl)pyrazole;(4-methyl-3-methylidenepentyl)cyclopentane;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen is sourced from PubChem (CID 167643620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).