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

C70H106F2N12 — CID 159166566

IUPACtetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane
SMILESCCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CF.CF
InChIInChI=1S/4C17H25N3.2CH3F/c4*1-6-20-12-16(11-18-20)15-9-7-14(8-10-15)13(2)19-17(3,4)5;2*1-2/h4*7-13,19H,6H2,1-5H3;2*1H3
InChIKeyKLDLAXQQLJNUHP-UHFFFAOYSA-N
MW1153.70 g/mol
LogP17.25
Rot. Bonds16

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

tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane (PubChem CID 159166566) has the molecular formula C70H106F2N12 and a molecular weight of 1153.70 g/mol. Its IUPAC name is tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane.

Molecular Properties

Compound Nametetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane
PubChem CID159166566
Molecular FormulaC70H106F2N12
Molecular Weight1153.70 g/mol
Exact Mass1152.86
IUPAC Nametetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane
SMILESCCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CF.CF
InChIInChI=1S/4C17H25N3.2CH3F/c4*1-6-20-12-16(11-18-20)15-9-7-14(8-10-15)13(2)19-17(3,4)5;2*1-2/h4*7-13,19H,6H2,1-5H3;2*1H3
InChIKeyKLDLAXQQLJNUHP-UHFFFAOYSA-N
XLogP17.25
TPSA119.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.70
LogP ≤ 517.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane?
The IUPAC name of tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane (CID 159166566) is tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane.
What is the SMILES notation for tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane?
The canonical SMILES for tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane is CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CCn1cc(-c2ccc(C(C)NC(C)(C)C)cc2)cn1.CF.CF.
What is the InChIKey of tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane?
The InChIKey is KLDLAXQQLJNUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H25N3.2CH3F/c4*1-6-20-12-16(11-18-20)15-9-7-14(8-10-15)13(2)19-17(3,4)5;2*1-2/h4*7-13,19H,6H2,1-5H3;2*1H3.
What are the key properties of tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane?
tetrakis(N-[1-[4-(1-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane has a molecular weight of 1153.70 g/mol, XLogP of 17.25, 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-ethylpyrazol-4-yl)phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane is sourced from PubChem (CID 159166566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).