1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)

C65H96FN9O — CID 161165433

IUPAC1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)
SMILESCC(C)NC(=O)Nc1cccc(C(C)C)c1.CC(C)c1ccc(F)cc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C13H20N2O.C12H20N2.C9H11F.3C8H11N.C7H12N2/c1-9(2)11-6-5-7-12(8-11)15-13(16)14-10(3)4;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-7(2)8-3-5-9(10)6-4-8;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7/h5-10H,1-4H3,(H2,14,15,16);8-10,12H,3-7H2,1-2H3;3-7H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3
InChIKeyUQLVSHSLSQZSII-UHFFFAOYSA-N
MW1038.54 g/mol
LogP17.96
Rot. Bonds10

About 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)

1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) (PubChem CID 161165433) has the molecular formula C65H96FN9O and a molecular weight of 1038.54 g/mol. Its IUPAC name is 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine).

Molecular Properties

Compound Name1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)
PubChem CID161165433
Molecular FormulaC65H96FN9O
Molecular Weight1038.54 g/mol
Exact Mass1037.77
IUPAC Name1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)
SMILESCC(C)NC(=O)Nc1cccc(C(C)C)c1.CC(C)c1ccc(F)cc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C13H20N2O.C12H20N2.C9H11F.3C8H11N.C7H12N2/c1-9(2)11-6-5-7-12(8-11)15-13(16)14-10(3)4;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-7(2)8-3-5-9(10)6-4-8;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7/h5-10H,1-4H3,(H2,14,15,16);8-10,12H,3-7H2,1-2H3;3-7H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3
InChIKeyUQLVSHSLSQZSII-UHFFFAOYSA-N
XLogP17.96
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.54
LogP ≤ 517.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?
The IUPAC name of 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) (CID 161165433) is 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine).
What is the SMILES notation for 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?
The canonical SMILES for 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) is CC(C)NC(=O)Nc1cccc(C(C)C)c1.CC(C)c1ccc(F)cc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?
The InChIKey is UQLVSHSLSQZSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C12H20N2.C9H11F.3C8H11N.C7H12N2/c1-9(2)11-6-5-7-12(8-11)15-13(16)14-10(3)4;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-7(2)8-3-5-9(10)6-4-8;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7/h5-10H,1-4H3,(H2,14,15,16);8-10,12H,3-7H2,1-2H3;3-7H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?
1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) has a molecular weight of 1038.54 g/mol, XLogP of 17.96, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;1-propan-2-yl-3-(3-propan-2-ylphenyl)urea;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) is sourced from PubChem (CID 161165433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).