3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole

C214H318FN15O9S — CID 160906748

About 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole

3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole (PubChem CID 160906748) has the molecular formula C214H318FN15O9S and a molecular weight of 3296.06 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole.

Molecular Properties

• Compound Name: 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole
• PubChem CID: 160906748
• Molecular Formula: C214H318FN15O9S
• Molecular Weight: 3296.06 g/mol
• Exact Mass: 3293.46
• IUPAC Name: 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole
• SMILES: CC(C)(C)n1ccc(C2CC2)n1.CC(C)(C)n1ccc(OCC2CC2)n1.CC(C)(C)n1ccc(OCC2CCC2)n1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CC1=NC(c2ccc(C(C)C)s2)=NC1.CCOc1ccc(C(C)C)cc1.CC[C@@H](C)Oc1ccn(C(C)(C)C)n1.CC[C@H](C)Oc1ccn(C(C)(C)C)n1.COc1c(C)cccc1C(C)C.COc1c(F)cc(C)cc1C(C)C.COc1cc(C)ccc1C(C)C.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
• InChI: InChI=1S/C12H20N2O.C12H15N.C11H15FO.C11H18N2O.2C11H20N2O.C11H14N2S.2C11H17N.3C11H16O.C10H16N2.C10H14O.6C10H14/c1-12(2,3)14-8-7-11(13-14)15-9-10-5-4-6-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-7(2)9-5-8(3)6-10(12)11(9)13-4;1-11(2,3)13-7-6-10(12-13)14-8-9-4-5-9;2*1-6-9(2)14-10-7-8-13(12-10)11(3,4)5;1-7(2)9-4-5-10(14-9)11-12-6-8(3)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)10-7-5-6-9(3)11(10)12-4;1-4-12-11-7-5-10(6-8-11)9(2)3;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-5-4-6-10(7-9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;3*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3/h7-8,10H,4-6,9H2,1-3H3;4-9H,1-3H3;5-7H,1-4H3;6-7,9H,4-5,8H2,1-3H3;2*7-9H,6H2,1-5H3;4-5,7H,6H2,1-3H3;2*5-9H,1-4H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;6*4-8H,1-3H3/t;;;;2*9-;;;;;;;;;;;;;;/m....10............../s1
• InChIKey: SQGAORBNCYCVTB-MIWPERJFSA-N
• XLogP: 59.79
• TPSA: 208.30 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3296.06
LogP ≤ 5	59.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole?

The IUPAC name of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole (CID 160906748) is 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole.

What is the SMILES notation for 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole?

The canonical SMILES for 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole is CC(C)(C)n1ccc(C2CC2)n1.CC(C)(C)n1ccc(OCC2CC2)n1.CC(C)(C)n1ccc(OCC2CCC2)n1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CC1=NC(c2ccc(C(C)C)s2)=NC1.CCOc1ccc(C(C)C)cc1.CC[C@@H](C)Oc1ccn(C(C)(C)C)n1.CC[C@H](C)Oc1ccn(C(C)(C)C)n1.COc1c(C)cccc1C(C)C.COc1c(F)cc(C)cc1C(C)C.COc1cc(C)ccc1C(C)C.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.

What is the InChIKey of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole?

The InChIKey is SQGAORBNCYCVTB-MIWPERJFSA-N. The full InChI is InChI=1S/C12H20N2O.C12H15N.C11H15FO.C11H18N2O.2C11H20N2O.C11H14N2S.2C11H17N.3C11H16O.C10H16N2.C10H14O.6C10H14/c1-12(2,3)14-8-7-11(13-14)15-9-10-5-4-6-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-7(2)9-5-8(3)6-10(12)11(9)13-4;1-11(2,3)13-7-6-10(12-13)14-8-9-4-5-9;2*1-6-9(2)14-10-7-8-13(12-10)11(3,4)5;1-7(2)9-4-5-10(14-9)11-12-6-8(3)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)10-7-5-6-9(3)11(10)12-4;1-4-12-11-7-5-10(6-8-11)9(2)3;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-5-4-6-10(7-9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;3*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3/h7-8,10H,4-6,9H2,1-3H3;4-9H,1-3H3;5-7H,1-4H3;6-7,9H,4-5,8H2,1-3H3;2*7-9H,6H2,1-5H3;4-5,7H,6H2,1-3H3;2*5-9H,1-4H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;6*4-8H,1-3H3/t;;;;2*9-;;;;;;;;;;;;;;/m....10............../s1.

What are the key properties of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole?

3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole has a molecular weight of 3296.06 g/mol, XLogP of 59.79, 37 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole is sourced from PubChem (CID 160906748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).