(R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine

C19H27BrFN3OSi — CID 67505469

IUPAC(R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine
SMILESC[Si](C)(C)CCOCn1cc([C@H](N)C2CC2)c(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C19H27BrFN3OSi/c1-26(2,3)9-8-25-12-24-11-16(18(22)13-4-5-13)19(23-24)15-10-14(21)6-7-17(15)20/h6-7,10-11,13,18H,4-5,8-9,12,22H2,1-3H3/t18-/m1/s1
InChIKeyPJUSVWCYGVESFA-GOSISDBHSA-N
MW440.43 g/mol
LogP5.17
Rot. Bonds8

About (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine

(R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine (PubChem CID 67505469) has the molecular formula C19H27BrFN3OSi and a molecular weight of 440.43 g/mol. Its IUPAC name is (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name(R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine
PubChem CID67505469
Molecular FormulaC19H27BrFN3OSi
Molecular Weight440.43 g/mol
Exact Mass439.11
IUPAC Name(R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine
SMILESC[Si](C)(C)CCOCn1cc([C@H](N)C2CC2)c(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C19H27BrFN3OSi/c1-26(2,3)9-8-25-12-24-11-16(18(22)13-4-5-13)19(23-24)15-10-14(21)6-7-17(15)20/h6-7,10-11,13,18H,4-5,8-9,12,22H2,1-3H3/t18-/m1/s1
InChIKeyPJUSVWCYGVESFA-GOSISDBHSA-N
XLogP5.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine?
The IUPAC name of (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine (CID 67505469) is (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine.
What is the SMILES notation for (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine?
The canonical SMILES for (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine is C[Si](C)(C)CCOCn1cc([C@H](N)C2CC2)c(-c2cc(F)ccc2Br)n1.
What is the InChIKey of (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine?
The InChIKey is PJUSVWCYGVESFA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27BrFN3OSi/c1-26(2,3)9-8-25-12-24-11-16(18(22)13-4-5-13)19(23-24)15-10-14(21)6-7-17(15)20/h6-7,10-11,13,18H,4-5,8-9,12,22H2,1-3H3/t18-/m1/s1.
What are the key properties of (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine?
(R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine has a molecular weight of 440.43 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-cyclopropylmethanamine is sourced from PubChem (CID 67505469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).