tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane

C82H130F2N12 — CID 158373088

IUPACtetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane
SMILESCC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CF.CF
InChIInChI=1S/4C20H31N3.2CH3F/c4*1-15(22-20(5,6)7)16-8-10-17(11-9-16)18-12-21-23(13-18)14-19(2,3)4;2*1-2/h4*8-13,15,22H,14H2,1-7H3;2*1H3
InChIKeyGUWBYJVBGIMMDA-UHFFFAOYSA-N
MW1322.02 g/mol
LogP21.35
Rot. Bonds16

About tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane

tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane (PubChem CID 158373088) has the molecular formula C82H130F2N12 and a molecular weight of 1322.02 g/mol. Its IUPAC name is tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane.

Molecular Properties

Compound Nametetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane
PubChem CID158373088
Molecular FormulaC82H130F2N12
Molecular Weight1322.02 g/mol
Exact Mass1321.05
IUPAC Nametetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane
SMILESCC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CF.CF
InChIInChI=1S/4C20H31N3.2CH3F/c4*1-15(22-20(5,6)7)16-8-10-17(11-9-16)18-12-21-23(13-18)14-19(2,3)4;2*1-2/h4*8-13,15,22H,14H2,1-7H3;2*1H3
InChIKeyGUWBYJVBGIMMDA-UHFFFAOYSA-N
XLogP21.35
TPSA119.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.02
LogP ≤ 521.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane?
The IUPAC name of tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane (CID 158373088) is tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane.
What is the SMILES notation for tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane?
The canonical SMILES for tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane is CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2cnn(CC(C)(C)C)c2)cc1.CF.CF.
What is the InChIKey of tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane?
The InChIKey is GUWBYJVBGIMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H31N3.2CH3F/c4*1-15(22-20(5,6)7)16-8-10-17(11-9-16)18-12-21-23(13-18)14-19(2,3)4;2*1-2/h4*8-13,15,22H,14H2,1-7H3;2*1H3.
What are the key properties of tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane?
tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane has a molecular weight of 1322.02 g/mol, XLogP of 21.35, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane is sourced from PubChem (CID 158373088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).