3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane

C165H266FN13O3 — CID 165111357

IUPAC3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane
SMILESC.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1ccn(C2CC2)n1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1nccn1C(C)(C)C.CCC(C)(C)Cc1cnn(C(C)C)c1.CN(C)C(=O)Cc1cccc(C(C)(C)C)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.COCC(C)(C)c1cccc(C(C)(C)C)n1
InChIInChI=1S/C14H23NO.C14H21NO.2C14H22.C13H19NO.4C13H21N.C12H22N2.C11H20N2.C10H13F.C10H16N2.CH4/c1-13(2,3)11-8-7-9-12(15-11)14(4,5)10-16-6;1-14(2,3)12-8-6-7-11(9-12)10-13(16)15(4)5;2*1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;2*1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-6-12(4,5)7-11-8-13-14(9-11)10(2)3;1-10(2,3)9-12-7-8-13(9)11(4,5)6;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-6-7-12(11-9)8-4-5-8;/h7-9H,10H2,1-6H3;6-9H,10H2,1-5H3;2*7-10H,1-6H3;6-9H,1-5H3;3*7-9H,1-6H3;6-9H,10H2,1-5H3;8-10H,6-7H2,1-5H3;7-8H,1-6H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3;1H4
InChIKeyZZUKLOWKOFOBOW-UHFFFAOYSA-N
MW2499.03 g/mol
LogP43.90
Rot. Bonds13

About 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane

3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane (PubChem CID 165111357) has the molecular formula C165H266FN13O3 and a molecular weight of 2499.03 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane
PubChem CID165111357
Molecular FormulaC165H266FN13O3
Molecular Weight2499.03 g/mol
Exact Mass2497.10
IUPAC Name3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane
SMILESC.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1ccn(C2CC2)n1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1nccn1C(C)(C)C.CCC(C)(C)Cc1cnn(C(C)C)c1.CN(C)C(=O)Cc1cccc(C(C)(C)C)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.COCC(C)(C)c1cccc(C(C)(C)C)n1
InChIInChI=1S/C14H23NO.C14H21NO.2C14H22.C13H19NO.4C13H21N.C12H22N2.C11H20N2.C10H13F.C10H16N2.CH4/c1-13(2,3)11-8-7-9-12(15-11)14(4,5)10-16-6;1-14(2,3)12-8-6-7-11(9-12)10-13(16)15(4)5;2*1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;2*1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-6-12(4,5)7-11-8-13-14(9-11)10(2)3;1-10(2,3)9-12-7-8-13(9)11(4,5)6;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-6-7-12(11-9)8-4-5-8;/h7-9H,10H2,1-6H3;6-9H,10H2,1-5H3;2*7-10H,1-6H3;6-9H,1-5H3;3*7-9H,1-6H3;6-9H,10H2,1-5H3;8-10H,6-7H2,1-5H3;7-8H,1-6H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3;1H4
InChIKeyZZUKLOWKOFOBOW-UHFFFAOYSA-N
XLogP43.90
TPSA158.11 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002499.03
LogP ≤ 543.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide
CID 158446173
3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine
CID 165044284

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane?
The IUPAC name of 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane (CID 165111357) is 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane.
What is the SMILES notation for 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane?
The canonical SMILES for 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane is C.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1ccn(C2CC2)n1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1nccn1C(C)(C)C.CCC(C)(C)Cc1cnn(C(C)C)c1.CN(C)C(=O)Cc1cccc(C(C)(C)C)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.COCC(C)(C)c1cccc(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane?
The InChIKey is ZZUKLOWKOFOBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C14H21NO.2C14H22.C13H19NO.4C13H21N.C12H22N2.C11H20N2.C10H13F.C10H16N2.CH4/c1-13(2,3)11-8-7-9-12(15-11)14(4,5)10-16-6;1-14(2,3)12-8-6-7-11(9-12)10-13(16)15(4)5;2*1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;2*1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-6-12(4,5)7-11-8-13-14(9-11)10(2)3;1-10(2,3)9-12-7-8-13(9)11(4,5)6;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-6-7-12(11-9)8-4-5-8;/h7-9H,10H2,1-6H3;6-9H,10H2,1-5H3;2*7-10H,1-6H3;6-9H,1-5H3;3*7-9H,1-6H3;6-9H,10H2,1-5H3;8-10H,6-7H2,1-5H3;7-8H,1-6H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3;1H4.
What are the key properties of 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane?
3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane has a molecular weight of 2499.03 g/mol, XLogP of 43.90, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane is sourced from PubChem (CID 165111357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).