1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine

C17H26F2N3Si2- — CID 134939373

IUPAC1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
SMILESC[Si](C)(C)N(C(F)(F)c1ccccc1[CH-]n1cccn1)[Si](C)(C)C
InChIInChI=1S/C17H26F2N3Si2/c1-23(2,3)22(24(4,5)6)17(18,19)16-11-8-7-10-15(16)14-21-13-9-12-20-21/h7-14H,1-6H3/q-1
InChIKeyQXGSAGXPWFBQKO-UHFFFAOYSA-N
MW366.58 g/mol
LogP4.96
Rot. Bonds6

About 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine

1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine (PubChem CID 134939373) has the molecular formula C17H26F2N3Si2- and a molecular weight of 366.58 g/mol. Its IUPAC name is 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine.

Molecular Properties

Compound Name1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
PubChem CID134939373
Molecular FormulaC17H26F2N3Si2-
Molecular Weight366.58 g/mol
Exact Mass366.16
IUPAC Name1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
SMILESC[Si](C)(C)N(C(F)(F)c1ccccc1[CH-]n1cccn1)[Si](C)(C)C
InChIInChI=1S/C17H26F2N3Si2/c1-23(2,3)22(24(4,5)6)17(18,19)16-11-8-7-10-15(16)14-21-13-9-12-20-21/h7-14H,1-6H3/q-1
InChIKeyQXGSAGXPWFBQKO-UHFFFAOYSA-N
XLogP4.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
1,2-dimethyl-4-[2-(1H-pyrazol-1-ylmethyl)benzyl]piperazine
CID 50962406
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56861411
1-[(2-Fluorophenyl)methyl]-1h-pyrazole
CID 57080327
n-(4-Fluoro-2-methylbenzyl)-2-(1h-pyrazol-1-yl)ethan-1-amine
CID 53619707
(3S)-N,N-dimethyl-1-[2-(1H-pyrazol-1-ylmethyl)benzyl]azepan-3-amine
CID 70775728
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 134791849
1-(2-(trifluoromethyl)benzyl)-1H-pyrazole
CID 57253554
1-Benzyl-3-(trifluoromethyl)pyrazole
CID 52751125
1-Benzyl-4-(trifluoromethyl)pyrazole
CID 91079780
(2-(4-((1H-pyrazol-1-yl)methyl)phenyl)phenyl)methanamine
CID 16228778

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine?
The IUPAC name of 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine (CID 134939373) is 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine.
What is the SMILES notation for 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine?
The canonical SMILES for 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine is C[Si](C)(C)N(C(F)(F)c1ccccc1[CH-]n1cccn1)[Si](C)(C)C.
What is the InChIKey of 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine?
The InChIKey is QXGSAGXPWFBQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N3Si2/c1-23(2,3)22(24(4,5)6)17(18,19)16-11-8-7-10-15(16)14-21-13-9-12-20-21/h7-14H,1-6H3/q-1.
What are the key properties of 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine?
1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine has a molecular weight of 366.58 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine is sourced from PubChem (CID 134939373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).