tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine

C98H155F4N18O7+ — CID 157096376

IUPACtert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine
SMILESCC(C(=O)O)n1cc(C(C)(C)C)cn1.CC(C)(C)OC(=O)N1CCC(n2cc(C(C)(C)C)cn2)C1.CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1cnn(C2CCCOC2)c1.CC(C)C(C)n1cc(C(C)(C)C)cn1.CC(c1ccccc1)n1cc(C(C)(C)C)cn1.COCC[n+]1cc(C(C)(C)C)c(C(F)(F)F)[nH]1.COCCn1ncc(C(C)(C)C)c1F
InChIInChI=1S/C16H27N3O2.C15H20N2.C12H15N3.C12H20N2O.C12H22N2.C11H17F3N2O.C10H17FN2O.C10H16N2O2/c1-15(2,3)12-9-17-19(10-12)13-7-8-18(11-13)14(20)21-16(4,5)6;1-12(13-8-6-5-7-9-13)17-11-14(10-16-17)15(2,3)4;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-12(2,3)10-7-13-14(8-10)11-5-4-6-15-9-11;1-9(2)10(3)14-8-11(7-13-14)12(4,5)6;1-10(2,3)8-7-16(5-6-17-4)15-9(8)11(12,13)14;1-10(2,3)8-7-12-13(9(8)11)5-6-14-4;1-7(9(13)14)12-6-8(5-11-12)10(2,3)4/h9-10,13H,7-8,11H2,1-6H3;5-12H,1-4H3;4-9H,1-3H3;7-8,11H,4-6,9H2,1-3H3;7-10H,1-6H3;7H,5-6H2,1-4H3;7H,5-6H2,1-4H3;5-7H,1-4H3,(H,13,14)/p+1
InChIKeyYXLUDVLKRNXMAM-UHFFFAOYSA-O
MW1773.43 g/mol
LogP21.70
Rot. Bonds15

About tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine

tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine (PubChem CID 157096376) has the molecular formula C98H155F4N18O7+ and a molecular weight of 1773.43 g/mol. Its IUPAC name is tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Nametert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine
PubChem CID157096376
Molecular FormulaC98H155F4N18O7+
Molecular Weight1773.43 g/mol
Exact Mass1772.23
IUPAC Nametert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine
SMILESCC(C(=O)O)n1cc(C(C)(C)C)cn1.CC(C)(C)OC(=O)N1CCC(n2cc(C(C)(C)C)cn2)C1.CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1cnn(C2CCCOC2)c1.CC(C)C(C)n1cc(C(C)(C)C)cn1.CC(c1ccccc1)n1cc(C(C)(C)C)cn1.COCC[n+]1cc(C(C)(C)C)c(C(F)(F)F)[nH]1.COCCn1ncc(C(C)(C)C)c1F
InChIInChI=1S/C16H27N3O2.C15H20N2.C12H15N3.C12H20N2O.C12H22N2.C11H17F3N2O.C10H17FN2O.C10H16N2O2/c1-15(2,3)12-9-17-19(10-12)13-7-8-18(11-13)14(20)21-16(4,5)6;1-12(13-8-6-5-7-9-13)17-11-14(10-16-17)15(2,3)4;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-12(2,3)10-7-13-14(8-10)11-5-4-6-15-9-11;1-9(2)10(3)14-8-11(7-13-14)12(4,5)6;1-10(2,3)8-7-16(5-6-17-4)15-9(8)11(12,13)14;1-10(2,3)8-7-12-13(9(8)11)5-6-14-4;1-7(9(13)14)12-6-8(5-11-12)10(2,3)4/h9-10,13H,7-8,11H2,1-6H3;5-12H,1-4H3;4-9H,1-3H3;7-8,11H,4-6,9H2,1-3H3;7-10H,1-6H3;7H,5-6H2,1-4H3;7H,5-6H2,1-4H3;5-7H,1-4H3,(H,13,14)/p+1
InChIKeyYXLUDVLKRNXMAM-UHFFFAOYSA-O
XLogP21.70
TPSA251.83 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.43
LogP ≤ 521.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine with MolForge

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Related Compounds

tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine
CID 158676712
tert-butyl 4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-2-(2-hydroxy-3-methylbutan-2-yl)piperazine-1-carboxylate;2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;bis(1-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]-2,2-dimethylpropan-1-amine);molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 159099310

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine?
The IUPAC name of tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine (CID 157096376) is tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine.
What is the SMILES notation for tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine?
The canonical SMILES for tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine is CC(C(=O)O)n1cc(C(C)(C)C)cn1.CC(C)(C)OC(=O)N1CCC(n2cc(C(C)(C)C)cn2)C1.CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1cnn(C2CCCOC2)c1.CC(C)C(C)n1cc(C(C)(C)C)cn1.CC(c1ccccc1)n1cc(C(C)(C)C)cn1.COCC[n+]1cc(C(C)(C)C)c(C(F)(F)F)[nH]1.COCCn1ncc(C(C)(C)C)c1F.
What is the InChIKey of tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine?
The InChIKey is YXLUDVLKRNXMAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H27N3O2.C15H20N2.C12H15N3.C12H20N2O.C12H22N2.C11H17F3N2O.C10H17FN2O.C10H16N2O2/c1-15(2,3)12-9-17-19(10-12)13-7-8-18(11-13)14(20)21-16(4,5)6;1-12(13-8-6-5-7-9-13)17-11-14(10-16-17)15(2,3)4;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-12(2,3)10-7-13-14(8-10)11-5-4-6-15-9-11;1-9(2)10(3)14-8-11(7-13-14)12(4,5)6;1-10(2,3)8-7-16(5-6-17-4)15-9(8)11(12,13)14;1-10(2,3)8-7-12-13(9(8)11)5-6-14-4;1-7(9(13)14)12-6-8(5-11-12)10(2,3)4/h9-10,13H,7-8,11H2,1-6H3;5-12H,1-4H3;4-9H,1-3H3;7-8,11H,4-6,9H2,1-3H3;7-10H,1-6H3;7H,5-6H2,1-4H3;7H,5-6H2,1-4H3;5-7H,1-4H3,(H,13,14)/p+1.
What are the key properties of tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine?
tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine has a molecular weight of 1773.43 g/mol, XLogP of 21.70, 15 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-2-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazol-2-ium;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine is sourced from PubChem (CID 157096376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).