1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

C₁₁₈H₂₀₀FN₂₃OS — CID 158638068

About 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 158638068) has the molecular formula C₁₁₈H₂₀₀FN₂₃OS and a molecular weight of 2008.12 g/mol. Its IUPAC name is 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

• Compound Name: 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
• PubChem CID: 158638068
• Molecular Formula: C₁₁₈H₂₀₀FN₂₃OS
• Molecular Weight: 2008.12 g/mol
• Exact Mass: 2006.60
• IUPAC Name: 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
• SMILES: CC(C)N1CC[C@H](F)C1.CC(C)N1CC[C@H](N(C)C)C1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CCCn1cc(C(C)C)cn1.Cc1[nH]ncc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1coc(C)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C
• InChI: InChI=1S/C12H14N2.C11H18N2.C9H20N2.2C9H16N2.C9H14O.C8H14N2.C8H13NS.C8H13N.C7H14FN.4C7H12N2/c1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)11-6-5-9(7-11)10(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-7(3)5-10-8(9)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-5-4-6-9(8)3;1-6(2)9-4-3-7(8)5-9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-4-8-9-6(7)3/h3-10H,1-2H3;7-9,11H,3-6H2,1-2H3;8-9H,5-7H2,1-4H3;6H,1-5H3;6-8H,4-5H2,1-3H3;5-6H,1-4H3;5H,1-4H3,(H,9,10);5H,1-4H3;4-7H,1-3H3;6-7H,3-5H2,1-2H3;2*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9)/t;;9-;;;;;;;7-;;;;/m..0......0..../s1
• InChIKey: IAADZBCUWXLOGB-KMQOBFNJSA-N
• XLogP: 30.14
• TPSA: 233.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.12
LogP ≤ 5	30.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

The IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 158638068) is 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

What is the SMILES notation for 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

The canonical SMILES for 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(C)N1CC[C@H](F)C1.CC(C)N1CC[C@H](N(C)C)C1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CCCn1cc(C(C)C)cn1.Cc1[nH]ncc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1coc(C)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.

What is the InChIKey of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

The InChIKey is IAADZBCUWXLOGB-KMQOBFNJSA-N. The full InChI is InChI=1S/C12H14N2.C11H18N2.C9H20N2.2C9H16N2.C9H14O.C8H14N2.C8H13NS.C8H13N.C7H14FN.4C7H12N2/c1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)11-6-5-9(7-11)10(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-7(3)5-10-8(9)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-5-4-6-9(8)3;1-6(2)9-4-3-7(8)5-9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-4-8-9-6(7)3/h3-10H,1-2H3;7-9,11H,3-6H2,1-2H3;8-9H,5-7H2,1-4H3;6H,1-5H3;6-8H,4-5H2,1-3H3;5-6H,1-4H3;5H,1-4H3,(H,9,10);5H,1-4H3;4-7H,1-3H3;6-7H,3-5H2,1-2H3;2*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9)/t;;9-;;;;;;;7-;;;;/m..0......0..../s1.

What are the key properties of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 2008.12 g/mol, XLogP of 30.14, 19 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 158638068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158638068 — identifiers, structure, computed properties (public domain)

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