[3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide

C19H38BF2N2O4Si- — CID 177101760

IUPAC[3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](OC(C)C)(OC(C)C)c1cc(C(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C19H38BF2N2O4Si/c1-14(2)26-20(27-15(3)4,28-16(5)6)18-12-17(19(21)22)23-24(18)13-25-10-11-29(7,8)9/h12,14-16,19H,10-11,13H2,1-9H3/q-1
InChIKeyORHWXDFULVDKBS-UHFFFAOYSA-N
MW435.42 g/mol
LogP4.55
Rot. Bonds13

About [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide

[3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide (PubChem CID 177101760) has the molecular formula C19H38BF2N2O4Si- and a molecular weight of 435.42 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide
PubChem CID177101760
Molecular FormulaC19H38BF2N2O4Si-
Molecular Weight435.42 g/mol
Exact Mass435.27
IUPAC Name[3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](OC(C)C)(OC(C)C)c1cc(C(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C19H38BF2N2O4Si/c1-14(2)26-20(27-15(3)4,28-16(5)6)18-12-17(19(21)22)23-24(18)13-25-10-11-29(7,8)9/h12,14-16,19H,10-11,13H2,1-9H3/q-1
InChIKeyORHWXDFULVDKBS-UHFFFAOYSA-N
XLogP4.55
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[5-Diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164668430
CID 158558373
CID 158558373
Trimethyl-[2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 175735739
2-[[5-(Difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 178993314
[3-Methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid
CID 59333326
Trimethyl-[2-[(3-methyl-5-trimethylstannylpyrazol-1-yl)methoxy]ethyl]silane
CID 89588831
2-[(3-Iodo-5-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 175390220
Trimethyl-[2-[[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 176231351
Trimethyl-[2-[[5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 176231365
CID 100966254
CID 100966254
CID 100966255
CID 100966255

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide?
The IUPAC name of [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide (CID 177101760) is [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide.
What is the SMILES notation for [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide?
The canonical SMILES for [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide is CC(C)O[B-](OC(C)C)(OC(C)C)c1cc(C(F)F)nn1COCC[Si](C)(C)C.
What is the InChIKey of [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide?
The InChIKey is ORHWXDFULVDKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38BF2N2O4Si/c1-14(2)26-20(27-15(3)4,28-16(5)6)18-12-17(19(21)22)23-24(18)13-25-10-11-29(7,8)9/h12,14-16,19H,10-11,13H2,1-9H3/q-1.
What are the key properties of [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide?
[3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide has a molecular weight of 435.42 g/mol, XLogP of 4.55, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide is sourced from PubChem (CID 177101760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).